 Entering Gaussian System, Link 0=g16
 Input=01_S_methyloxirane_STD_LCPBE_augccpVDZ.in
 Output=01_S_methyloxirane_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/01_S_methyloxirane_STD/Gau-1525.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/01_S_methyloxirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1528.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=01_S_methyloxirane_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=037500
 0000,3/108=0375000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=375000000,108=375000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "01_S_methyloxirane_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.037946000000      0.616050000000     -0.060586000000
  C                                                 0.152167000000     -0.036181000000      0.486338000000
  O                                                -0.827309000000     -0.787855000000     -0.240257000000
  H                                                -0.946334000000      1.214879000000     -0.962405000000
  H                                                -1.863621000000      0.880906000000      0.593045000000
  H                                                 0.153731000000     -0.252078000000      1.553032000000
  C                                                 1.505323000000      0.097870000000     -0.148585000000
  H                                                 1.410483000000      0.321151000000     -1.211784000000
  H                                                 2.073470000000     -0.828389000000     -0.041354000000
  H                                                 2.073478000000      0.899940000000      0.328527000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     10 NQM=       10 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          16           1           1           1          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           0           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:05 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.463181   0.000000
     3  O    1.430943   1.432595   0.000000
     4  H    1.086401   2.206969   2.132278   0.000000
     5  H    1.085874   2.217169   2.133799   1.836404   0.000000
     6  H    2.185750   1.088324   2.113145   3.112801   2.504982
     7  C    2.597012   1.500709   2.496815   2.814362   3.537364
     8  H    2.721585   2.143517   2.679827   2.532889   3.780276
     9  H    3.430406   2.144168   2.907873   3.760651   4.338760
    10  H    3.148486   2.143050   3.403929   3.299236   3.946021
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.201083   0.000000
     8  H    3.090667   1.090523   0.000000
     9  H    2.561171   1.091900   1.769435   0.000000
    10  H    2.551859   1.092590   1.774012   1.767465   0.000000
 Stoichiometry    C3H6O
 Framework group  C1[X(C3H6O)]
 Deg. of freedom    24
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.34D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
 Rotational constants (GHZ):          18.2186332           6.6800760           5.9518073
 Leave Link  202 at Fri Jul 16 19:14:05 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       4      5      6      8      9     10
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  12 primitive shells out of 160 were deleted.
 There are   154 symmetry adapted cartesian basis functions of A   symmetry.
 There are   146 symmetry adapted basis functions of A   symmetry.
   146 basis functions,   260 primitive gaussians,   154 cartesian basis functions
    16 alpha electrons       16 beta electrons
       nuclear repulsion energy       124.8385457136 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.375000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.375000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   10 NActive=   10 NUniq=   10 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              13.8 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   146 RedAO= T EigKep=  3.61D-05  NBF=   146
 NBsUse=   146 1.00D-06 EigRej= -1.00D+00 NBFU=   146
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   154   154   154   154   154 MxSgAt=    10 MxSgA2=    10.
 Leave Link  302 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               6.6 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "01_S_methyloxirane_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=123001690.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  10731 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5521929202 LenY=  5521905045
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -192.534328769194    
 DIIS: error= 1.12D-09 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -192.534328769194     IErMin= 1 ErrMin= 1.12D-09
 ErrMax= 1.12D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-16 BMatP= 3.72D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=8.72D-10 MaxDP=1.68D-08              OVMax= 2.15D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -192.534328769     A.U. after    1 cycles
            NFock=  1  Conv=0.87D-09     -V/T= 2.0054
 KE= 1.915018129649D+02 PE=-6.994552003209D+02 EE= 1.905805128732D+02
 Leave Link  502 at Fri Jul 16 19:14:14 2021, MaxMem=  5637144576 cpu:              28.6 elap:               3.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   146
 NBasis=   146 NAE=    16 NBE=    16 NFC=     0 NFV=     0
 NROrb=    146 NOA=    16 NOB=    16 NVA=   130 NVB=   130

 **** Warning!!: The largest alpha MO coefficient is  0.42603539D+02

 Leave Link  801 at Fri Jul 16 19:14:15 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3093 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=240185753.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  10731 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.47D-14 8.33D-09 XBig12= 1.00D+00 2.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.47D-14 8.33D-09 XBig12= 2.00D-01 5.93D-02.
     11 vectors produced by pass  2 Test12= 3.47D-14 8.33D-09 XBig12= 2.44D-02 3.03D-02.
     11 vectors produced by pass  3 Test12= 3.47D-14 8.33D-09 XBig12= 1.00D-03 7.49D-03.
     11 vectors produced by pass  4 Test12= 3.47D-14 8.33D-09 XBig12= 2.07D-05 7.77D-04.
     11 vectors produced by pass  5 Test12= 3.47D-14 8.33D-09 XBig12= 3.43D-07 9.74D-05.
     11 vectors produced by pass  6 Test12= 3.47D-14 8.33D-09 XBig12= 4.96D-09 1.20D-05.
     11 vectors produced by pass  7 Test12= 3.47D-14 8.33D-09 XBig12= 7.15D-11 1.63D-06.
      8 vectors produced by pass  8 Test12= 3.47D-14 8.33D-09 XBig12= 7.53D-13 1.32D-07.
      2 vectors produced by pass  9 Test12= 3.47D-14 8.33D-09 XBig12= 6.91D-15 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension    98 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.467707D+02
      2 -0.230972D+01  0.386450D+02
      3  0.817830D+00 -0.604504D+00  0.383095D+02
 Isotropic polarizability for W=    0.085645       41.24 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.236566D+02 -0.245909D+00  0.279240D+01
      2  -0.141631D+02  0.523255D+01 -0.692245D+01
      3  -0.949343D+01 -0.498664D+01  0.413005D+01
      4   0.171759D+02  0.696809D+01 -0.115880D+01
      5   0.430563D+01  0.147507D+00  0.133828D+02
      6  -0.178328D+01 -0.460868D+01  0.133199D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.720951D+00  0.805367D+00 -0.591153D+01
      2  -0.410181D+01  0.672911D+00  0.701221D+01
      3   0.362505D+01 -0.625810D+01 -0.130725D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.130631D+01  0.231378D+01 -0.183065D+02
      2  -0.151323D+01  0.624482D+00  0.228762D+02
      3   0.174218D+02 -0.211312D+02 -0.193079D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.940988D-02  0.924178D+00  0.461033D+00
      2   0.924178D+00 -0.137027D+00  0.295952D-01
      3   0.461033D+00  0.295952D-01  0.214233D+00
 OR G Eigenvalues:    -1.0610     0.1180     1.0296  Iso=    -0.0289
 Eigenvectors:
   (1)   0.691144  -0.683788  -0.233996
   (2)  -0.153777  -0.455496   0.876856
   (3)   0.706167   0.570051   0.419964
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0289 au.
 Molar Mass =     58.0798 grams/mole, [Alpha] ( 5320.0 A) =      -23.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   10731 ScalPx= 2.07D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   10731 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.83D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.78D-15 2.78D-09 XBig12= 1.00D+00 3.82D-01.
     30 vectors produced by pass  1 Test12= 5.78D-15 2.78D-09 XBig12= 2.18D-02 3.05D-02.
     30 vectors produced by pass  2 Test12= 5.78D-15 2.78D-09 XBig12= 3.75D-04 2.65D-03.
     30 vectors produced by pass  3 Test12= 5.78D-15 2.78D-09 XBig12= 2.75D-06 2.34D-04.
     30 vectors produced by pass  4 Test12= 5.78D-15 2.78D-09 XBig12= 1.67D-08 1.85D-05.
     30 vectors produced by pass  5 Test12= 5.78D-15 2.78D-09 XBig12= 9.48D-11 1.15D-06.
     30 vectors produced by pass  6 Test12= 5.78D-15 2.78D-09 XBig12= 4.97D-13 9.71D-08.
     13 vectors produced by pass  7 Test12= 5.78D-15 2.78D-09 XBig12= 2.65D-15 6.78D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   10731 ScalPx= 5.65D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   10731 ScalPx= 5.65D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   10731 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.22D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.467707D+02 -0.230972D+01  0.817830D+00
      2  -0.230972D+01  0.386450D+02 -0.604504D+00
      3   0.817830D+00 -0.604504D+00  0.383095D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.720951D+00  0.805367D+00 -0.591153D+01
      2  -0.410181D+01  0.672911D+00  0.701221D+01
      3   0.362505D+01 -0.625810D+01 -0.130725D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.236566D+02 -0.245909D+00  0.279240D+01
      2  -0.141631D+02  0.523255D+01 -0.692245D+01
      3  -0.949343D+01 -0.498664D+01  0.413005D+01
      4   0.171759D+02  0.696809D+01 -0.115880D+01
      5   0.430563D+01  0.147507D+00  0.133828D+02
      6  -0.178328D+01 -0.460868D+01  0.133199D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.371269D+01  0.115897D+01 -0.397225D+01 -0.252343D+00 -0.968727D+00
      2   0.115897D+01 -0.273172D+00  0.184764D+01 -0.968727D+00  0.476021D+01
      3  -0.397225D+01  0.184764D+01 -0.793988D-01  0.779660D+00  0.208710D+01
                 6             7             8             9            10 
      1   0.779660D+00 -0.587441D+01  0.191804D+01  0.325102D+00  0.630443D+01
      2   0.208710D+01  0.191804D+01  0.225823D+01 -0.236214D+01 -0.101417D+01
      3  -0.219584D+01  0.325102D+00 -0.236214D+01  0.139197D+01  0.303701D+01
                11            12            13            14            15 
      1  -0.101417D+01  0.303701D+01 -0.132673D+01  0.434346D+01  0.410484D+00
      2   0.218283D+01  0.121505D+00  0.434346D+01 -0.315248D+00  0.130232D+01
      3   0.121505D+00 -0.283157D-01  0.410484D+00  0.130232D+01  0.122131D+01
                16            17            18            19            20 
      1   0.410854D+01  0.726916D+00  0.734248D+00 -0.383130D+01 -0.360856D+01
      2   0.726916D+00  0.913413D+00  0.154992D+01 -0.360856D+01 -0.823752D+00
      3   0.734248D+00  0.154992D+01 -0.687839D+01 -0.123724D+01 -0.310110D+00
                21            22            23            24            25 
      1  -0.123724D+01 -0.184819D+01 -0.267572D+01 -0.566569D+00 -0.173102D+01
      2  -0.310110D+00 -0.267572D+01 -0.860230D+01 -0.172120D+01 -0.119659D+01
      3   0.199706D+00 -0.566569D+00 -0.172120D+01 -0.704023D+00 -0.129227D+01
                26            27            28            29            30 
      1  -0.119659D+01 -0.129227D+01 -0.191428D+00  0.916551D+00 -0.322520D+00
      2  -0.138981D+01 -0.218939D+01  0.916551D+00 -0.202226D-01 -0.428947D+00
      3  -0.218939D+01 -0.135662D+01 -0.322520D+00 -0.428947D+00  0.235743D+00
                31            32            33            34            35 
      1   0.132657D+01 -0.714988D+00  0.315256D+00 -0.106199D+01  0.287043D+00
      2  -0.714988D+00  0.332837D+01 -0.261489D+01  0.287043D+00 -0.321003D+01
      3   0.315256D+00 -0.261489D+01  0.258813D+01 -0.726518D+00  0.300845D+01
                36            37            38            39            40 
      1  -0.726518D+00 -0.635255D+01  0.215018D+01  0.260492D+01  0.183638D+01
      2   0.300845D+01  0.215018D+01 -0.192056D+01 -0.925867D+00 -0.177652D+01
      3  -0.490229D+01  0.260492D+01 -0.925867D+00 -0.216383D+01 -0.620678D+00
                41            42            43            44            45 
      1  -0.177652D+01 -0.620678D+00  0.395708D+01 -0.127461D+01 -0.238335D+01
      2   0.133249D+01  0.542184D+00 -0.127461D+01  0.873943D+00  0.146066D+01
      3   0.542184D+00  0.910030D+00 -0.238335D+01  0.146066D+01  0.257592D+01
                46            47            48            49            50 
      1   0.759955D+00 -0.899856D-01  0.112944D+01 -0.184663D+00 -0.365854D+00
      2  -0.899856D-01 -0.141764D+00 -0.661637D-01 -0.365854D+00 -0.701373D+00
      3   0.112944D+01 -0.661637D-01  0.181202D+00 -0.605461D-01  0.113047D+01
                51            52            53            54            55 
      1  -0.605461D-01  0.164477D+01 -0.202382D+00  0.428586D+00 -0.149504D+01
      2   0.113047D+01 -0.202382D+00  0.135125D+01 -0.130351D+01  0.771639D+00
      3  -0.142877D+01  0.428586D+00 -0.130351D+01  0.983136D+01 -0.223479D+01
                56            57            58            59            60 
      1   0.771639D+00 -0.223479D+01  0.979928D+00 -0.536519D+01 -0.119689D+01
      2  -0.454202D+01 -0.106825D+01 -0.536519D+01  0.134326D+01 -0.154967D+01
      3  -0.106825D+01  0.390896D+00 -0.119689D+01 -0.154967D+01 -0.228808D+01
                61            62            63            64            65 
      1  -0.236089D+01 -0.116790D+01 -0.315289D+00 -0.120922D+00  0.134346D+00
      2  -0.116790D+01 -0.174830D+01 -0.205201D+01  0.134346D+00  0.354989D+00
      3  -0.315289D+00 -0.205201D+01  0.581396D+01 -0.606172D+00  0.119494D+00
                66            67            68            69            70 
      1  -0.606172D+00  0.415935D+00  0.764863D+00 -0.887727D-01 -0.198372D+01
      2   0.119494D+00  0.764863D+00  0.515839D+00 -0.910280D+00 -0.620553D-01
      3  -0.429206D+00 -0.887727D-01 -0.910280D+00  0.121289D+01  0.104659D+01
                71            72            73            74            75 
      1  -0.620553D-01  0.104659D+01  0.436099D+01 -0.240904D+01  0.351522D+00
      2  -0.140039D+01  0.112347D+01 -0.240904D+01  0.284430D+01 -0.551377D-02
      3   0.112347D+01 -0.759754D+01  0.351522D+00 -0.551377D-02  0.685688D+00
                76            77            78            79            80 
      1  -0.432437D+01  0.369606D+01  0.129762D+00  0.868504D+00 -0.320479D-01
      2   0.369606D+01 -0.550195D+01  0.358970D+00 -0.320479D-01  0.607240D+00
      3   0.129762D+00  0.358970D+00 -0.107919D+01  0.865281D+00 -0.653882D+00
                81            82            83            84            85 
      1   0.865281D+00  0.427855D+01  0.199007D+01  0.125008D+01  0.337749D+01
      2  -0.653882D+00  0.199007D+01  0.233936D+01  0.716218D+00  0.306260D+01
      3  -0.249944D+00  0.125008D+01  0.716218D+00  0.100751D+01  0.898295D+00
                86            87            88            89            90 
      1   0.306260D+01  0.898295D+00  0.243314D+01  0.100359D+01  0.131762D+01
      2   0.384069D+01  0.137500D+01  0.100359D+01  0.174446D+01  0.141843D+01
      3   0.137500D+01  0.176353D+01  0.131762D+01  0.141843D+01  0.137157D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.600467D+01 -0.226343D+01 -0.387061D+00 -0.239082D+01 -0.118368D+01
      2   0.640122D+01 -0.382790D+01  0.205714D+01 -0.196719D+01 -0.180670D+01
      3   0.973300D+00 -0.405483D+01 -0.106929D+01  0.883377D+00  0.282225D+01
                 6             7             8             9            10 
      1   0.200628D+01 -0.304974D+01  0.555226D+01 -0.168489D+01 -0.224582D+01
      2   0.348474D+01 -0.201001D+01  0.428454D+01  0.107531D+00 -0.260343D+01
      3   0.406860D+01 -0.311603D+01  0.434092D+01 -0.241236D+01  0.635731D+00
                11            12            13            14            15 
      1   0.220722D+01  0.227052D-01  0.225763D+01 -0.604905D+00 -0.219452D+01
      2   0.115640D+01 -0.137046D+01  0.164582D+01 -0.193281D+01 -0.464563D+00
      3  -0.168418D+01  0.268148D+00  0.597845D+01  0.700909D+00  0.251370D-01
                16            17            18            19            20 
      1   0.778951D+00  0.589809D+00  0.171070D+01 -0.167898D+01 -0.671031D+00
      2  -0.847648D+01  0.391498D+00 -0.420659D+01  0.186452D+01  0.127089D+01
      3   0.101164D+01 -0.104525D+01 -0.307293D+00  0.150131D+01 -0.283831D+01
                21            22            23            24            25 
      1  -0.247670D+01 -0.100929D+01  0.229480D+01 -0.788210D+01 -0.108657D+01
      2   0.418659D+01 -0.144495D+01  0.228607D+01  0.266089D+01 -0.280410D+01
      3   0.180517D+00  0.790234D+01 -0.888933D+01 -0.157487D+01  0.250324D+01
                26            27            28            29            30 
      1   0.294711D+01 -0.227639D+01  0.196698D+00  0.509365D+00 -0.225006D+00
      2   0.181396D+01  0.201671D+01  0.103457D+01  0.326504D+00  0.258811D+00
      3  -0.890505D+00 -0.565722D+00  0.124340D+01  0.191008D+00 -0.523193D+00
                31            32            33            34            35 
      1  -0.208351D+00  0.690684D+00 -0.344536D+01  0.355011D+00 -0.313641D+00
      2   0.768145D+00  0.319396D+01 -0.320610D+01 -0.193355D+01 -0.353182D+01
      3   0.195587D+01  0.381551D+01 -0.288207D+01 -0.170419D+01 -0.368439D+01
                36            37            38            39            40 
      1   0.566810D+01 -0.287444D+01 -0.294018D+00  0.274428D+01  0.447650D+00
      2   0.583617D+01 -0.212465D+01  0.118397D+01  0.460294D+01  0.561806D+00
      3   0.366607D+01 -0.307034D+01 -0.282064D+01  0.110135D+01  0.246520D+00
                41            42            43            44            45 
      1  -0.294232D+00 -0.168231D+01  0.251610D+01 -0.279033D+00 -0.304972D+01
      2  -0.892066D+00 -0.185502D+01  0.110021D+01 -0.172828D+01 -0.412339D+01
      3   0.938591D+00  0.306593D+00  0.226015D+01  0.889751D+00 -0.384092D+00
                46            47            48            49            50 
      1   0.751100D-01  0.167120D+00  0.515365D+00 -0.397575D+00 -0.897290D+00
      2  -0.123954D+00 -0.110186D+00  0.202255D+00  0.656539D+00  0.851081D+00
      3   0.410272D-01 -0.906331D+00  0.821815D-01  0.877686D+00 -0.918098D-01
                51            52            53            54            55 
      1   0.403447D+00 -0.581179D-02  0.415585D+01 -0.102619D+01  0.598783D+00
      2  -0.237067D+00 -0.422321D+01 -0.135447D+00  0.253161D+01 -0.461157D+01
      3  -0.279056D+00 -0.578584D+00 -0.311454D+00 -0.225542D+00 -0.857099D+00
                56            57            58            59            60 
      1   0.976144D+00  0.501994D-01  0.182008D+01 -0.157429D+00 -0.961934D+00
      2  -0.160445D+01  0.267475D+01 -0.197808D+01 -0.365367D+01 -0.389472D+01
      3   0.614360D+01  0.178044D+01  0.128533D+02 -0.316105D+01  0.238938D+01
                61            62            63            64            65 
      1  -0.199401D+00  0.269060D+01  0.304828D+00  0.442497D-01  0.213695D+00
      2  -0.410388D+01 -0.358697D+01  0.856495D+01 -0.188729D+01  0.114862D+00
      3   0.127159D+01  0.289577D+01  0.376895D+01 -0.395598D+00 -0.998637D+00
                66            67            68            69            70 
      1  -0.451739D-01  0.854795D-01 -0.337298D+00 -0.871445D+00 -0.207658D+00
      2   0.610026D+00  0.436039D+00 -0.118985D+01  0.239752D+01 -0.176601D+01
      3  -0.282855D+00  0.314129D-01 -0.672021D+00  0.142415D+01 -0.577535D+00
                71            72            73            74            75 
      1   0.272208D+01  0.868565D+00  0.452455D+00 -0.650015D+00  0.767829D+00
      2   0.228008D+01 -0.131443D+02  0.561887D+00 -0.306589D+00  0.267011D+01
      3   0.251540D+01 -0.214313D+01  0.394540D+01 -0.671811D+01  0.198329D-01
                76            77            78            79            80 
      1  -0.600877D+00  0.989693D+00 -0.216720D+01  0.249607D+00  0.708517D+00
      2   0.906114D-01  0.855404D+00 -0.301537D+01  0.357173D+00 -0.933262D+00
      3  -0.422553D+01  0.104456D+02 -0.678540D+00 -0.293351D+00 -0.114428D+01
                81            82            83            84            85 
      1   0.788259D-01 -0.572729D+00 -0.195051D+00 -0.966444D+00 -0.412831D+00
      2  -0.504734D+00  0.189759D+01  0.149417D+01  0.326231D+01  0.123126D+01
      3   0.775232D+00 -0.286227D+01 -0.563619D+01 -0.125503D+01 -0.311816D+01
                86            87            88            89            90 
      1  -0.198014D+00 -0.235932D+01 -0.505364D+00  0.549054D+00 -0.895935D+00
      2   0.228857D+01  0.412969D+01  0.474546D+00  0.230044D+01  0.251330D+01
      3  -0.706338D+01 -0.239057D+01 -0.776926D+00 -0.356597D+01 -0.217211D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.944418D+00 -0.232544D+00  0.883207D+01  0.652055D+01  0.652046D+00
      2   0.795989D+00  0.246322D+00 -0.483358D+01 -0.618944D+01  0.427790D+01
      3  -0.174041D+01 -0.137780D-01 -0.399849D+01 -0.331102D+00 -0.492994D+01
      4   0.145576D+01 -0.486007D+00 -0.841656D+01 -0.149781D+01 -0.629307D+01
      5   0.151503D+02 -0.660420D+01 -0.178872D+01 -0.355097D+01 -0.184625D+01
      6  -0.663323D+01  0.303301D+01  0.321888D+01  0.342123D+01  0.753582D+01
                 6             7             8             9            10 
      1  -0.871747D+01  0.124491D+02 -0.902722D+01  0.198463D+01 -0.930257D+01
      2   0.563965D+01 -0.612486D+01  0.674240D+01 -0.215447D+01  0.214103D+01
      3   0.307782D+01 -0.632424D+01  0.228482D+01  0.169842D+00  0.716154D+01
      4   0.206459D+00 -0.734646D+01 -0.154327D+01  0.528183D+01  0.662593D+00
      5   0.941929D+01 -0.250210D+01  0.552046D+01  0.887763D+00  0.469922D+00
      6  -0.103834D+02  0.256753D+01 -0.697536D+01  0.456911D+01  0.805716D+00
                11            12            13            14            15 
      1  -0.123490D+01  0.357466D+01 -0.479314D-01 -0.142932D+01  0.547214D+00
      2   0.693488D+00  0.987589D-01 -0.942264D+00  0.167762D+01 -0.153376D+01
      3   0.541409D+00 -0.367342D+01  0.990195D+00 -0.248299D+00  0.986551D+00
      4  -0.576135D+01  0.163465D+01 -0.397736D-01 -0.232397D+01 -0.924248D+00
      5   0.936400D+00 -0.701612D+01  0.148855D+01 -0.594912D+00 -0.404455D+00
      6   0.524024D+00  0.438292D+00  0.152149D+01 -0.422043D+00  0.306786D+01
                16            17            18            19            20 
      1   0.479578D+00 -0.241430D+01  0.120676D+02  0.628294D+01  0.560987D+01
      2  -0.120920D+01  0.343778D+00  0.582622D+01 -0.729778D-01 -0.199636D+01
      3   0.729621D+00  0.207052D+01 -0.178939D+02 -0.620996D+01 -0.361351D+01
      4   0.999563D+00 -0.994557D+00  0.170106D+01  0.103638D+02  0.129694D+02
      5   0.908241D+00  0.782676D+00 -0.474991D+01  0.188051D+01  0.277937D+01
      6   0.610577D+00 -0.457985D-01  0.443558D+01  0.302612D+01  0.917429D+00
                21            22            23            24            25 
      1  -0.162170D+01  0.111431D+01 -0.106032D+02 -0.212707D+01  0.484667D+00
      2  -0.196074D+01  0.276097D+01  0.184131D+02 -0.142001D+01 -0.186645D+00
      3   0.358245D+01 -0.387527D+01 -0.780995D+01  0.354708D+01 -0.298023D+00
      4   0.306627D+01  0.133835D+02  0.180780D+02  0.122702D+01  0.295669D+01
      5   0.818997D+01  0.326012D+01  0.774448D+00  0.144012D+01  0.539878D+01
      6   0.861733D+00 -0.147585D+01  0.318691D+01  0.116035D+02  0.236505D+01
                26            27            28            29            30 
      1  -0.154508D+01 -0.658157D+01  0.892346D+00 -0.272229D+01  0.126201D+01
      2   0.800728D-01 -0.539155D+00 -0.315137D+00  0.154978D+01 -0.335090D+00
      3   0.146500D+01  0.712072D+01 -0.577210D+00  0.117251D+01 -0.926917D+00
      4   0.370302D+01  0.495663D+01 -0.204201D+01  0.345477D+01 -0.126237D+01
      5   0.457701D+01  0.455900D+01 -0.277235D+00 -0.831626D+00  0.345240D+01
      6   0.906377D+01  0.575907D+01 -0.186270D+01 -0.104737D+01  0.112410D+00
                31            32            33            34            35 
      1  -0.198115D+01 -0.797994D+01  0.619770D+01  0.678190D+00  0.780796D+01
      2   0.862104D+00  0.973156D+01 -0.511801D+01 -0.699873D+00 -0.586602D+01
      3   0.111905D+01 -0.175162D+01 -0.107969D+01  0.216833D-01 -0.194194D+01
      4   0.505715D+01 -0.590622D+01  0.435721D+01 -0.317591D+01  0.550731D+01
      5  -0.229925D+01  0.526243D+01 -0.579332D+01  0.511135D+01 -0.640141D+01
      6   0.110623D+01 -0.108494D+02  0.104584D+02 -0.209242D+01  0.120483D+02
                36            37            38            39            40 
      1  -0.955823D+01  0.241401D+02 -0.489756D+01 -0.732923D+01 -0.423586D+01
      2   0.357171D+00 -0.118222D+02  0.260009D+00  0.480654D+01 -0.170679D+00
      3   0.920106D+01 -0.123180D+02  0.463755D+01  0.252269D+01  0.440654D+01
      4  -0.518164D+01 -0.147858D+02  0.104170D+02  0.574896D+01  0.969986D+01
      5   0.106008D+02 -0.134496D+02  0.460973D+01  0.106517D+02  0.293757D+01
      6  -0.143755D+02  0.620447D+01 -0.338369D+01 -0.502430D+01 -0.318762D+01
                41            42            43            44            45 
      1   0.272149D+01  0.791543D+00 -0.105369D+02  0.238994D+01  0.305885D+01
      2   0.100864D+01  0.439244D+00  0.684353D+01 -0.684044D+00 -0.508684D+01
      3  -0.373013D+01 -0.123079D+01  0.369338D+01 -0.170589D+01  0.202799D+01
      4  -0.664598D+01 -0.366864D+01  0.768273D+01 -0.514487D+01 -0.621150D+01
      5  -0.325581D+01 -0.337812D+01  0.123892D+02 -0.552617D+01 -0.111295D+02
      6   0.268085D+01  0.463557D+01 -0.531462D+01  0.540750D+01  0.517648D+01
                46            47            48            49            50 
      1   0.367062D+00 -0.129265D+00  0.320986D+00 -0.106050D+00 -0.411665D+01
      2  -0.298866D+01  0.284956D-01 -0.132118D+00  0.326705D+00  0.619333D+00
      3   0.262160D+01  0.100770D+00 -0.188869D+00 -0.220656D+00  0.349732D+01
      4  -0.279277D+00  0.221361D+01 -0.780627D+00  0.155325D+01 -0.421256D+00
      5   0.785407D+00 -0.935655D+00  0.752390D+01 -0.113314D+01  0.103222D+01
      6  -0.900129D+00 -0.219875D-01  0.860785D-01 -0.526735D-01 -0.272124D+01
                51            52            53            54            55 
      1   0.381634D+01 -0.511677D+00  0.332459D+01 -0.226220D+02  0.304581D+01
      2   0.505248D+00 -0.108458D+01  0.189753D+00 -0.132834D+02 -0.481013D+01
      3  -0.432159D+01  0.159626D+01 -0.351434D+01  0.359054D+02  0.176432D+01
      4   0.645343D+00 -0.399839D+00  0.292327D+00 -0.757028D+00  0.246672D+01
      5  -0.778184D+00  0.567127D+01 -0.650281D+00  0.359526D+01 -0.985370D+01
      6   0.701309D+01 -0.747207D+00  0.656933D+01 -0.566287D+01 -0.254772D+01
                56            57            58            59            60 
      1   0.222444D+01 -0.712205D+01  0.187008D+01 -0.139131D+02 -0.353076D+01
      2  -0.123920D+00  0.303189D+01  0.272394D+00  0.285483D+01  0.352543D+00
      3  -0.210052D+01  0.409017D+01 -0.214247D+01  0.110583D+02  0.317821D+01
      4  -0.164289D+02 -0.421713D+01 -0.226243D+02  0.508257D+01 -0.684365D+01
      5  -0.403569D+01  0.160623D+01 -0.548597D+01 -0.652236D+01 -0.695871D+01
      6  -0.107174D+01 -0.473346D+00 -0.166516D+01 -0.289449D+01 -0.154909D+01
                61            62            63            64            65 
      1  -0.869782D+01 -0.411204D+01  0.611465D+01  0.126332D+00  0.386512D+00
      2   0.212201D+01 -0.350392D+00  0.128968D+01 -0.155540D+01 -0.387950D+00
      3   0.657582D+01  0.446244D+01 -0.740434D+01  0.142907D+01  0.143832D-02
      4  -0.547911D+01 -0.724435D+01 -0.697986D+01  0.106030D+00  0.267595D+01
      5  -0.448314D+00 -0.669811D+01  0.126216D+02 -0.116221D+01 -0.344210D+00
      6  -0.151166D+01 -0.932155D+00  0.188653D+01 -0.722788D+00  0.573844D+00
                66            67            68            69            70 
      1  -0.296975D+01  0.979126D+00 -0.838714D+00  0.217316D+01 -0.464974D+01
      2   0.125565D+01 -0.798170D+00  0.781886D+00 -0.120105D+00  0.407401D+01
      3   0.171411D+01 -0.180956D+00  0.568282D-01 -0.205306D+01  0.575728D+00
      4  -0.568772D+00  0.424220D+01  0.131862D+01 -0.231539D+01 -0.119259D+01
      5   0.442731D+01 -0.706396D+00 -0.203999D+01  0.398397D+01  0.720140D+01
      6   0.310612D+00 -0.295854D+00 -0.194396D+01  0.540079D+01  0.859286D+00
                71            72            73            74            75 
      1   0.237852D+01 -0.113665D+02  0.184480D+02 -0.942850D+01  0.127779D+01
      2  -0.371734D+00 -0.880358D+01 -0.632044D+01  0.259105D+01 -0.473765D+00
      3  -0.200679D+01  0.201701D+02 -0.121276D+02  0.683744D+01 -0.804022D+00
      4  -0.436653D+01  0.400387D+01 -0.132201D+02  0.154582D+02 -0.204098D+00
      5   0.354027D+01 -0.222657D+02  0.959444D+00  0.178215D-02  0.471813D+01
      6   0.542195D+01 -0.508262D+01  0.388183D+00 -0.415797D+00 -0.957999D+00
                76            77            78            79            80 
      1  -0.132412D+02  0.569351D+01 -0.253581D+00  0.245854D+01  0.515841D+00
      2   0.270409D+01  0.617932D+01 -0.168133D+00 -0.796284D+00 -0.449167D+00
      3   0.105371D+02 -0.118728D+02  0.421714D+00 -0.166226D+01 -0.666736D-01
      4   0.193768D+02 -0.232969D+02  0.177503D+01 -0.303041D+00  0.223747D+01
      5   0.428833D+00  0.145776D+01 -0.518025D+01  0.527393D+01 -0.350422D+01
      6  -0.622673D+00  0.102725D+01  0.371300D+01 -0.176133D+01  0.376395D+01
                81            82            83            84            85 
      1   0.539851D+00  0.174165D+02  0.734460D+01  0.486567D+01  0.106680D+02
      2  -0.892628D+00 -0.623258D+01 -0.132110D+01 -0.200276D+01 -0.190533D+01
      3   0.352777D+00 -0.111839D+02 -0.602350D+01 -0.286291D+01 -0.876263D+01
      4  -0.297412D+01  0.129625D+02  0.141324D+02  0.439518D+01  0.176198D+02
      5  -0.139423D+00  0.631499D+01  0.381960D+01  0.654471D+01  0.506065D+01
      6  -0.114262D+01  0.224208D+01  0.892274D+00  0.142763D+01  0.206871D+01
                86            87            88            89            90 
      1   0.405047D+01  0.150592D+01  0.730085D+01  0.108480D+01  0.823097D+00
      2   0.598254D+01  0.617324D+00 -0.348333D+01  0.768360D+00 -0.225264D+01
      3  -0.100330D+02 -0.212324D+01 -0.381752D+01 -0.185316D+01  0.142955D+01
      4   0.180985D+02  0.635869D+01  0.625796D+01  0.755345D+01  0.616077D+01
      5   0.573247D+01  0.764966D+01  0.776692D+01  0.605005D+01  0.683792D+01
      6   0.379583D+01  0.434972D+01  0.271508D+01  0.432356D+01  0.383240D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 19:17:16 2021, MaxMem=  5637144576 cpu:            1437.4 elap:             180.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.97035 -10.13778 -10.12779 -10.07741  -1.20480
 Alpha  occ. eigenvalues --   -0.88771  -0.79611  -0.73031  -0.63884  -0.59260
 Alpha  occ. eigenvalues --   -0.55017  -0.52382  -0.49184  -0.48032  -0.41824
 Alpha  occ. eigenvalues --   -0.38472
 Alpha virt. eigenvalues --    0.03326   0.04463   0.04573   0.05583   0.06685
 Alpha virt. eigenvalues --    0.07587   0.09550   0.11641   0.12264   0.13823
 Alpha virt. eigenvalues --    0.14467   0.15153   0.15880   0.16659   0.17064
 Alpha virt. eigenvalues --    0.18061   0.19293   0.20708   0.21838   0.23499
 Alpha virt. eigenvalues --    0.24719   0.25745   0.26887   0.29194   0.29834
 Alpha virt. eigenvalues --    0.30410   0.31865   0.35066   0.36431   0.37482
 Alpha virt. eigenvalues --    0.38955   0.39686   0.40980   0.42443   0.43073
 Alpha virt. eigenvalues --    0.44103   0.44841   0.45625   0.47946   0.49612
 Alpha virt. eigenvalues --    0.50750   0.52182   0.53276   0.54619   0.55167
 Alpha virt. eigenvalues --    0.56846   0.57994   0.59330   0.60636   0.61595
 Alpha virt. eigenvalues --    0.62621   0.63321   0.64301   0.66237   0.67107
 Alpha virt. eigenvalues --    0.68487   0.70208   0.71036   0.72548   0.75831
 Alpha virt. eigenvalues --    0.78306   0.79772   0.82687   0.84121   0.86104
 Alpha virt. eigenvalues --    0.89475   0.95429   0.97997   1.01852   1.04445
 Alpha virt. eigenvalues --    1.06818   1.07602   1.10422   1.14656   1.17651
 Alpha virt. eigenvalues --    1.20162   1.26368   1.29724   1.31817   1.34569
 Alpha virt. eigenvalues --    1.39791   1.46774   1.51024   1.54459   1.55715
 Alpha virt. eigenvalues --    1.57181   1.58989   1.63322   1.65713   1.69202
 Alpha virt. eigenvalues --    1.71912   1.73944   1.75197   1.79755   1.81512
 Alpha virt. eigenvalues --    1.86613   1.87870   1.91136   1.94757   1.99058
 Alpha virt. eigenvalues --    2.00793   2.04095   2.07358   2.11789   2.14987
 Alpha virt. eigenvalues --    2.17229   2.20003   2.22187   2.25111   2.30265
 Alpha virt. eigenvalues --    2.32329   2.39645   2.43131   2.50636   2.53438
 Alpha virt. eigenvalues --    2.54454   2.60108   2.65622   2.76025   2.78573
 Alpha virt. eigenvalues --    2.81848   2.85000   2.97637   3.21894   3.43841
 Alpha virt. eigenvalues --    3.51037   3.52532   3.64999   3.66449   3.69386
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.216861  -0.167421   0.229152   0.206154   0.102707  -0.150527
     2  C   -0.167421   5.030482  -0.087284  -0.101447   0.059106   0.031485
     3  O    0.229152  -0.087284   8.677516  -0.070281  -0.071588  -0.116390
     4  H    0.206154  -0.101447  -0.070281   1.772209  -0.319285   0.074867
     5  H    0.102707   0.059106  -0.071588  -0.319285   1.653990  -0.132302
     6  H   -0.150527   0.031485  -0.116390   0.074867  -0.132302   1.910955
     7  C   -0.332441   0.431497  -0.034868  -0.115838   0.063615  -0.089170
     8  H   -0.151871  -0.087185  -0.024601  -0.017392   0.006962   0.073876
     9  H   -0.012028   0.169524   0.008392  -0.004413   0.001070  -0.044595
    10  H    0.040742  -0.071683   0.029910  -0.016445   0.010646  -0.089710
               7          8          9         10
     1  C   -0.332441  -0.151871  -0.012028   0.040742
     2  C    0.431497  -0.087185   0.169524  -0.071683
     3  O   -0.034868  -0.024601   0.008392   0.029910
     4  H   -0.115838  -0.017392  -0.004413  -0.016445
     5  H    0.063615   0.006962   0.001070   0.010646
     6  H   -0.089170   0.073876  -0.044595  -0.089710
     7  C    4.791637   0.448879   0.247201   0.329991
     8  H    0.448879   1.293626  -0.205126  -0.171182
     9  H    0.247201  -0.205126   1.056194  -0.164071
    10  H    0.329991  -0.171182  -0.164071   1.163270
 Mulliken charges:
               1
     1  C    1.018673
     2  C    0.792927
     3  O   -0.539956
     4  H   -0.408129
     5  H   -0.374921
     6  H   -0.468489
     7  C    0.259498
     8  H   -0.165986
     9  H   -0.052148
    10  H   -0.061467
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.235622
     2  C    0.324438
     3  O   -0.539956
     7  C   -0.020103
 Electronic spatial extent (au):  <R**2>=            267.2577
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9073    Y=              1.7305    Z=              0.6993  Tot=              2.0753
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -24.3417   YY=            -26.5724   ZZ=            -24.2984
   XY=             -2.4400   XZ=             -0.4057   YZ=             -1.2045
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7291   YY=             -1.5016   ZZ=              0.7725
   XY=             -2.4400   XZ=             -0.4057   YZ=             -1.2045
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -3.6923  YYY=             -1.3937  ZZZ=             -0.0291  XYY=              0.9523
  XXY=              1.7547  XXZ=              1.0365  XZZ=             -1.1376  YZZ=              0.0510
  YYZ=             -0.1461  XYZ=              0.4854
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -219.0753 YYYY=            -77.9164 ZZZZ=            -55.7353 XXXY=             -2.1833
 XXXZ=             -0.3015 YYYX=             -0.8699 YYYZ=             -0.5413 ZZZX=             -0.1168
 ZZZY=             -2.3306 XXYY=            -48.1520 XXZZ=            -46.4545 YYZZ=            -22.6928
 XXYZ=              1.6807 YYXZ=              1.1411 ZZXY=              0.1058
 N-N= 1.248385457136D+02 E-N=-6.994552003770D+02  KE= 1.915018129649D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 19:17:17 2021, MaxMem=  5637144576 cpu:               5.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.37216662D-01 6.51403454D-01 2.66668172D-01
 Polarizability= 4.48763905D+01-2.93312603D+00 3.57863909D+01
                 9.62235258D-01-1.23787392D+00 3.61062710D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4089   -0.4089       -1.1549   -1.1549
 2      0.4089    0.4089        0.3023    0.3023       -4.0627   -4.0628
 3      1.1549    1.1549        4.2308    4.2306       -0.3021   -0.3023
 4     -0.3023   -0.3023       -0.0000    0.0000        1.1547    1.1549
 5     -0.1682   -0.1678       -1.1547   -1.1549       -0.4088   -0.4089
 6      0.3021    0.3023        0.4088    0.4089       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.2267    1.2267       -3.4646   -3.4646
 2     -0.9068   -0.9068       -0.0000    0.0000       -3.4646   -3.4646
 3     -0.9068   -0.9068        1.2267    1.2267        0.0000    0.0000
 4      1.2267    1.2267        0.9068    0.9068      -12.1885  -12.1885
 5      3.4646    3.4646       12.6919   12.6919       -0.9068   -0.9068
 6     -0.5034   -0.5034       -3.4646   -3.4646       -1.2267   -1.2267
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0016    0.0000        1.6453    1.6357        4.6217    4.6194
 2     -1.6384   -1.6357       -1.2036   -1.2090       16.2455   16.2513
 3     -4.6194   -4.6194      -16.9292  -16.9225        1.2071    1.2090
 4      1.2117    1.2090        0.0021    0.0000       -4.6250   -4.6194
 5      0.6710    0.6712        4.6173    4.6194        1.6303    1.6357
 6     -1.2084   -1.2090       -1.6314   -1.6357       -0.0008    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0028    0.0000       -2.2924   -2.2865        3.3006    3.2964
 2      2.2792    2.2865        0.7632    0.7541        0.0895    0.0961
 3     -3.2845   -3.2964       -4.0485   -4.0564       -0.7559   -0.7541
 4     -0.7532   -0.7541        0.0060    0.0000       -3.2943   -3.2964
 5      3.9706    3.9603        3.3048    3.2964       -2.2823   -2.2865
 6      0.7531    0.7541        2.2866    2.2865       -0.0039    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.6681   -4.6697       -3.8535   -3.8561        8.9137    8.9143
 2     -6.4134   -6.4147       -4.7399   -4.7407        8.9194    8.9143
 3     -6.4110   -6.4147       -3.8522   -3.8561        9.7198    9.7149
 4      0.8822    0.8847        1.7423    1.7450        1.3596    1.3637
 5      0.8087    0.8005       -6.4655   -6.4742       -1.7449   -1.7450
 6      5.1271    5.1105       -0.7833   -0.8005       -0.8832   -0.8847
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2549   -2.6807    0.0012    0.0012    0.0012    1.3940
 Low frequencies ---  208.5603  368.3053  412.7048
 Diagonal vibrational polarizability:
        2.4450325       2.1399991       1.0898724
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    208.5603               368.3052               412.7048
 Red. masses --      1.0932                 2.3273                 2.4401
 Frc consts  --      0.0280                 0.1860                 0.2449
 IR Inten    --      0.4184                 3.6511                 4.5016
 RamAct Fr= 1--      0.0494                 0.8089                 0.9195
  Dep-P Fr= 1--      0.6726                 0.5821                 0.2195
  Dep-U Fr= 1--      0.8043                 0.7358                 0.3600
 Alpha2 Fr= 1--      0.0001                 0.0025                 0.0119
 Beta2  Fr= 1--      0.0066                 0.0992                 0.0552
 AlphaG Fr= 1--      0.0008                 0.0005                -0.0073
 Gamma2 Fr= 1--     -0.0019                -0.1219                -0.0650
 Delta2 Fr= 1--     -0.0079                -0.0237                 0.0051
 Raman1 Fr= 1--       0.198                  3.236                  3.678
 ROA1   Fr= 1--      -0.431                -12.462                 -6.071
 CID1   Fr= 1--      -2.180                 -3.851                 -1.651
 Raman2 Fr= 1--       0.079                  1.190                  0.662
 ROA2   Fr= 1--       0.019                 -2.737                 -1.600
 CID2   Fr= 1--       0.235                 -2.299                 -2.417
 Raman3 Fr= 1--       0.159                  2.381                  1.324
 ROA3   Fr= 1--      -0.431                -12.462                 -6.071
 CID3   Fr= 1--      -2.710                 -5.234                 -4.586
 RC180  Fr= 1--       0.609                  0.472                 -0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04     0.18   0.03  -0.07     0.08   0.01  -0.03
     2   6    -0.00   0.05   0.00     0.00  -0.17   0.02    -0.04   0.01   0.20
     3   8     0.02  -0.02   0.04    -0.14  -0.05   0.07     0.16   0.02  -0.05
     4   1    -0.03  -0.06  -0.07     0.45  -0.09  -0.13     0.36   0.09   0.05
     5   1    -0.03  -0.00  -0.06     0.17   0.31  -0.21    -0.13  -0.06  -0.27
     6   1     0.00   0.10   0.01     0.01  -0.15   0.02    -0.09  -0.06   0.19
     7   6     0.00  -0.01  -0.00    -0.04   0.13  -0.01    -0.19  -0.03  -0.06
     8   1     0.04   0.53   0.10    -0.13   0.38   0.05    -0.60  -0.11  -0.04
     9   1    -0.26  -0.22  -0.46     0.23   0.27  -0.25    -0.22  -0.06  -0.23
    10   1     0.25  -0.40   0.36    -0.25   0.18   0.16     0.03  -0.02  -0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    773.2803               846.2451               909.0682
 Red. masses --      3.6376                 3.1441                 1.2762
 Frc consts  --      1.2815                 1.3266                 0.6214
 IR Inten    --      7.6508                43.0417                 2.6520
 RamAct Fr= 1--      7.1931                 7.6515                 2.7864
  Dep-P Fr= 1--      0.5205                 0.5993                 0.6322
  Dep-U Fr= 1--      0.6847                 0.7494                 0.7747
 Alpha2 Fr= 1--      0.0322                 0.0214                 0.0060
 Beta2  Fr= 1--      0.8208                 0.9557                 0.3598
 AlphaG Fr= 1--      0.0156                -0.0070                 0.0029
 Gamma2 Fr= 1--      0.7733                -1.0238                -0.6750
 Delta2 Fr= 1--      0.4367                -0.0446                -0.6267
 Raman1 Fr= 1--      28.772                 30.606                 11.145
 ROA1   Fr= 1--      88.212                -99.712                -84.851
 CID1   Fr= 1--       3.066                 -3.258                 -7.613
 Raman2 Fr= 1--       9.850                 11.469                  4.317
 ROA2   Fr= 1--      15.065                -24.215                -11.185
 CID2   Fr= 1--       1.529                 -2.111                 -2.591
 Raman3 Fr= 1--      19.700                 22.937                  8.634
 ROA3   Fr= 1--      88.212                -99.712                -84.851
 CID3   Fr= 1--       4.478                 -4.347                 -9.827
 RC180  Fr= 1--       0.369                  0.499                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.22   0.05     0.20  -0.08   0.06    -0.01   0.05   0.07
     2   6    -0.09  -0.09  -0.22     0.04   0.22   0.00    -0.05   0.03  -0.02
     3   8     0.20  -0.10   0.06    -0.12  -0.16  -0.13    -0.01  -0.08   0.01
     4   1    -0.25   0.06  -0.07     0.03   0.04   0.13     0.51   0.11   0.16
     5   1     0.26   0.09   0.31     0.54   0.11   0.42    -0.34   0.02  -0.36
     6   1     0.04   0.23  -0.13    -0.04   0.33   0.01     0.20  -0.23  -0.08
     7   6    -0.21  -0.04   0.02    -0.10   0.05   0.05     0.01   0.06  -0.05
     8   1     0.16   0.05   0.01    -0.07  -0.08   0.02     0.37  -0.10  -0.12
     9   1    -0.18   0.01   0.22    -0.38  -0.10   0.16    -0.28  -0.09   0.25
    10   1    -0.49  -0.04   0.35     0.15  -0.07  -0.05     0.15  -0.10   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    975.4215              1043.2588              1130.8804
 Red. masses --      2.4011                 1.1810                 1.4750
 Frc consts  --      1.3460                 0.7573                 1.1114
 IR Inten    --     15.5528                 8.6648                 6.7644
 RamAct Fr= 1--      5.4624                 1.2449                 1.2731
  Dep-P Fr= 1--      0.1415                 0.3253                 0.4530
  Dep-U Fr= 1--      0.2479                 0.4909                 0.6235
 Alpha2 Fr= 1--      0.0863                 0.0118                 0.0077
 Beta2  Fr= 1--      0.2257                 0.1019                 0.1323
 AlphaG Fr= 1--      0.0197                 0.0248                -0.0147
 Gamma2 Fr= 1--      0.2163                 0.2055                -0.0330
 Delta2 Fr= 1--      0.0214                 0.2575                -0.1348
 Raman1 Fr= 1--      21.850                  4.980                  5.092
 ROA1   Fr= 1--      21.456                 27.967                 -7.478
 CID1   Fr= 1--       0.982                  5.616                 -1.468
 Raman2 Fr= 1--       2.709                  1.222                  1.588
 ROA2   Fr= 1--       5.021                  2.872                  0.287
 CID2   Fr= 1--       1.854                  2.349                  0.181
 Raman3 Fr= 1--       5.418                  2.445                  3.175
 ROA3   Fr= 1--      21.456                 27.967                 -7.478
 CID3   Fr= 1--       3.960                 11.439                 -2.355
 RC180  Fr= 1--      -0.504                 -0.018                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.04     0.01   0.01   0.00    -0.06   0.01   0.10
     2   6    -0.13  -0.04   0.01    -0.03   0.04   0.04    -0.00   0.10   0.03
     3   8     0.01  -0.16  -0.02    -0.02  -0.03  -0.02     0.03  -0.04  -0.06
     4   1    -0.15   0.07  -0.04     0.16   0.37   0.26     0.16  -0.47  -0.19
     5   1    -0.03   0.11   0.06    -0.15  -0.31  -0.07    -0.02   0.62  -0.09
     6   1    -0.43   0.14   0.06    -0.03   0.54   0.14     0.02  -0.14  -0.02
     7   6     0.17   0.04   0.03     0.03  -0.08  -0.06     0.01  -0.09  -0.02
     8   1    -0.34  -0.07   0.04     0.14   0.17  -0.01    -0.01   0.18   0.04
     9   1     0.15  -0.02  -0.34     0.35   0.12  -0.07     0.32   0.10  -0.07
    10   1     0.46   0.07  -0.39    -0.32   0.05   0.16    -0.31   0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --   1158.5581              1167.6529              1190.1083
 Red. masses --      1.3981                 1.5867                 1.5879
 Frc consts  --      1.1056                 1.2746                 1.3251
 IR Inten    --      1.7277                 3.6287                 0.6942
 RamAct Fr= 1--      2.0822                 1.5062                 2.9477
  Dep-P Fr= 1--      0.6495                 0.5151                 0.1358
  Dep-U Fr= 1--      0.7875                 0.6799                 0.2392
 Alpha2 Fr= 1--      0.0038                 0.0069                 0.0472
 Beta2  Fr= 1--      0.2733                 0.1707                 0.1175
 AlphaG Fr= 1--      0.0013                -0.0055                 0.0231
 Gamma2 Fr= 1--      0.4679                 0.1768                -0.8060
 Delta2 Fr= 1--      0.0403                 0.1663                -0.3819
 Raman1 Fr= 1--       8.329                  6.025                 11.791
 ROA1   Fr= 1--      46.205                 22.295                -89.593
 CID1   Fr= 1--       5.548                  3.700                 -7.599
 Raman2 Fr= 1--       3.279                  2.048                  1.410
 ROA2   Fr= 1--      10.907                  2.913                -16.288
 CID2   Fr= 1--       3.326                  1.422                -11.551
 Raman3 Fr= 1--       6.559                  4.097                  2.820
 ROA3   Fr= 1--      46.205                 22.295                -89.593
 CID3   Fr= 1--       7.045                  5.442                -31.769
 RC180  Fr= 1--       0.575                  0.360                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.09  -0.04    -0.05  -0.01  -0.05    -0.01  -0.05   0.11
     2   6    -0.08  -0.05   0.00     0.05   0.10  -0.12     0.06  -0.07  -0.14
     3   8     0.05   0.04   0.02     0.00  -0.03   0.06    -0.01   0.05  -0.02
     4   1     0.45   0.20   0.22     0.32   0.46   0.29     0.32  -0.28  -0.01
     5   1     0.41   0.47   0.37     0.02  -0.02   0.04    -0.27   0.06  -0.26
     6   1    -0.25   0.19   0.05     0.08  -0.42  -0.24    -0.02   0.68   0.01
     7   6     0.02   0.03  -0.04    -0.01  -0.06   0.10    -0.01   0.02   0.08
     8   1     0.17  -0.04  -0.07    -0.44   0.05   0.16    -0.31  -0.11   0.08
     9   1    -0.04  -0.01   0.02     0.13   0.00  -0.20    -0.12  -0.07  -0.11
    10   1     0.11  -0.04  -0.02    -0.10   0.13  -0.11     0.10   0.03  -0.10
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1295.6811              1407.4016              1441.0215
 Red. masses --      1.5711                 1.2498                 1.6122
 Frc consts  --      1.5540                 1.4586                 1.9724
 IR Inten    --      5.4334                 3.4464                21.3968
 RamAct Fr= 1--     19.5777                 1.1423                 7.3285
  Dep-P Fr= 1--      0.2067                 0.4269                 0.2979
  Dep-U Fr= 1--      0.3425                 0.5983                 0.4590
 Alpha2 Fr= 1--      0.2612                 0.0077                 0.0756
 Beta2  Fr= 1--      1.1177                 0.1139                 0.5606
 AlphaG Fr= 1--     -0.0265                 0.0023                -0.0380
 Gamma2 Fr= 1--      0.4295                 0.1483                -0.7070
 Delta2 Fr= 1--     -0.0549                 0.0619                -0.1554
 Raman1 Fr= 1--      78.311                  4.569                 29.314
 ROA1   Fr= 1--      39.472                 16.220                -72.843
 CID1   Fr= 1--       0.504                  3.550                 -2.485
 Raman2 Fr= 1--      13.412                  1.367                  6.728
 ROA2   Fr= 1--      10.747                  3.065                -15.724
 CID2   Fr= 1--       0.801                  2.242                 -2.337
 Raman3 Fr= 1--      26.825                  2.734                 13.455
 ROA3   Fr= 1--      39.472                 16.220                -72.843
 CID3   Fr= 1--       1.471                  5.933                 -5.414
 RC180  Fr= 1--      -0.315                  0.197                 -0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.07     0.02  -0.01   0.01    -0.04   0.03   0.00
     2   6     0.09  -0.07   0.07    -0.07   0.01  -0.02     0.19  -0.02   0.00
     3   8    -0.01  -0.06  -0.05     0.00   0.02   0.00    -0.01  -0.04   0.00
     4   1    -0.09   0.22   0.02     0.08  -0.12  -0.05    -0.15   0.22   0.10
     5   1     0.05   0.32   0.06     0.04  -0.14   0.07    -0.15   0.24  -0.19
     6   1     0.82   0.26   0.16     0.31   0.01  -0.02    -0.61  -0.01  -0.01
     7   6    -0.02   0.02   0.03    -0.10  -0.03   0.07    -0.12   0.01  -0.01
     8   1    -0.09  -0.08   0.02     0.48   0.08   0.03     0.21  -0.02  -0.04
     9   1    -0.05  -0.01   0.02     0.37   0.21  -0.29     0.27   0.25   0.11
    10   1     0.07  -0.04   0.03     0.37  -0.03  -0.44     0.31  -0.29   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1483.2160              1496.8023              1532.1776
 Red. masses --      1.0508                 1.0594                 1.3754
 Frc consts  --      1.3620                 1.3984                 1.9024
 IR Inten    --      5.4887                 6.3102                 5.7259
 RamAct Fr= 1--      3.1959                 4.4782                 2.5412
  Dep-P Fr= 1--      0.7423                 0.7035                 0.4109
  Dep-U Fr= 1--      0.8521                 0.8259                 0.5824
 Alpha2 Fr= 1--      0.0004                 0.0036                 0.0181
 Beta2  Fr= 1--      0.4539                 0.6164                 0.2467
 AlphaG Fr= 1--      0.0026                -0.0064                -0.0082
 Gamma2 Fr= 1--     -0.3066                 1.5130                -0.4835
 Delta2 Fr= 1--     -0.1110                 0.4394                -0.0871
 Raman1 Fr= 1--      12.784                 17.913                 10.165
 ROA1   Fr= 1--     -32.989                159.304                -49.203
 CID1   Fr= 1--      -2.581                  8.893                 -4.841
 Raman2 Fr= 1--       5.447                  7.397                  2.960
 ROA2   Fr= 1--      -6.471                 32.796                -10.906
 CID2   Fr= 1--      -1.188                  4.433                 -3.684
 Raman3 Fr= 1--      10.893                 14.795                  5.920
 ROA3   Fr= 1--     -32.989                159.304                -49.203
 CID3   Fr= 1--      -3.028                 10.768                 -8.311
 RC180  Fr= 1--       0.704                  0.652                  0.165
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.09   0.10  -0.03
     2   6     0.03  -0.03   0.01    -0.04   0.00  -0.02     0.10  -0.01   0.03
     3   8     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.02  -0.02  -0.01
     4   1    -0.10   0.09   0.05     0.12  -0.09  -0.05     0.53  -0.34  -0.24
     5   1    -0.03   0.11  -0.08     0.04  -0.12   0.09     0.10  -0.49   0.43
     6   1    -0.07   0.04   0.02     0.14   0.01  -0.02    -0.18  -0.01   0.03
     7   6     0.01  -0.05   0.00     0.00  -0.02  -0.04    -0.02  -0.00  -0.00
     8   1     0.14   0.62   0.13    -0.42   0.30   0.08     0.10   0.05  -0.00
     9   1    -0.28  -0.17   0.29     0.25   0.21   0.58    -0.11  -0.06   0.00
    10   1    -0.05   0.30  -0.49     0.34  -0.30   0.07    -0.08   0.07  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --   3032.9805              3083.5766              3090.9648
 Red. masses --      1.0353                 1.0500                 1.1007
 Frc consts  --      5.6113                 5.8826                 6.1961
 IR Inten    --     17.9721                27.9875                18.6482
 RamAct Fr= 1--    176.8184               104.3423                68.4823
  Dep-P Fr= 1--      0.0111                 0.0866                 0.6967
  Dep-U Fr= 1--      0.0219                 0.1594                 0.8212
 Alpha2 Fr= 1--      3.8290                 1.8874                 0.0638
 Beta2  Fr= 1--      0.6445                 2.7725                 9.3732
 AlphaG Fr= 1--     -0.1601                 0.2359                 0.1167
 Gamma2 Fr= 1--     -0.2682                 6.1485                 1.4166
 Delta2 Fr= 1--      0.0953                 0.7997                 2.0444
 Raman1 Fr= 1--     707.274                417.369                273.929
 ROA1   Fr= 1--     -22.696                615.847                201.419
 CID1   Fr= 1--      -0.032                  1.476                  0.735
 Raman2 Fr= 1--       7.734                 33.270                112.479
 ROA2   Fr= 1--      -7.199                141.166                 17.644
 CID2   Fr= 1--      -0.931                  4.243                  0.157
 Raman3 Fr= 1--      15.468                 66.541                224.958
 ROA3   Fr= 1--     -22.696                615.847                201.419
 CID3   Fr= 1--      -1.467                  9.255                  0.895
 RC180  Fr= 1--      -0.956                 -0.681                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.04   0.04  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   1     0.00   0.01  -0.01    -0.07  -0.38   0.60    -0.00  -0.00   0.00
     5   1    -0.00   0.00   0.00     0.51  -0.15  -0.42    -0.00   0.00   0.00
     6   1     0.00  -0.01   0.03     0.00  -0.03   0.15     0.00   0.02  -0.11
     7   6     0.05   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.09  -0.03
     8   1     0.05  -0.10   0.48    -0.01   0.01  -0.06     0.01  -0.04   0.09
     9   1    -0.29   0.50  -0.06    -0.02   0.04  -0.00    -0.37   0.58  -0.08
    10   1    -0.33  -0.47  -0.28    -0.01  -0.01  -0.01     0.37   0.51   0.31
                     22                     23                     24
                      A                      A                      A
 Frequencies --   3091.8404              3114.6657              3167.3052
 Red. masses --      1.0901                 1.0998                 1.1202
 Frc consts  --      6.1397                 6.2862                 6.6211
 IR Inten    --     10.5636                37.0962                29.6776
 RamAct Fr= 1--    168.0822                23.8127                65.7635
  Dep-P Fr= 1--      0.2937                 0.2071                 0.6857
  Dep-U Fr= 1--      0.4541                 0.3431                 0.8136
 Alpha2 Fr= 1--      1.7565                 0.3173                 0.0743
 Beta2  Fr= 1--     12.7198                 1.3618                 8.9170
 AlphaG Fr= 1--     -0.3088                -0.1495                 0.1229
 Gamma2 Fr= 1--    -12.5659                 2.5423                 2.9585
 Delta2 Fr= 1--     -9.1002                 2.3086                 2.5727
 Raman1 Fr= 1--     672.329                 95.251                263.054
 ROA1   Fr= 1--   -1497.528                317.937                366.344
 CID1   Fr= 1--      -2.227                  3.338                  1.393
 Raman2 Fr= 1--     152.637                 16.341                107.004
 ROA2   Fr= 1--    -228.779                 42.546                 50.423
 CID2   Fr= 1--      -1.499                  2.604                  0.471
 Raman3 Fr= 1--     305.275                 32.682                214.009
 ROA3   Fr= 1--   -1497.528                317.937                366.344
 CID3   Fr= 1--      -4.906                  9.728                  1.712
 RC180  Fr= 1--      -0.092                 -0.314                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01    -0.00  -0.00   0.01     0.05   0.02  -0.08
     2   6     0.00   0.02  -0.07    -0.00   0.01  -0.04     0.00   0.00  -0.01
     3   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.02   0.09  -0.14     0.01   0.03  -0.05    -0.05  -0.36   0.56
     5   1    -0.06   0.01   0.04     0.04  -0.01  -0.03    -0.56   0.17   0.43
     6   1    -0.01  -0.17   0.82    -0.01  -0.10   0.48     0.00  -0.03   0.10
     7   6     0.01  -0.02   0.04    -0.03   0.02  -0.07    -0.00   0.00  -0.00
     8   1    -0.04   0.09  -0.42     0.06  -0.15   0.73     0.00  -0.01   0.03
     9   1    -0.12   0.21  -0.02     0.16  -0.28   0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.05  -0.02     0.15   0.22   0.12     0.01   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Molecular mass:    58.04186 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --    99.06019 270.16776 303.22575
           X            0.99884  -0.04603  -0.01409
           Y            0.04415   0.99263  -0.11282
           Z            0.01918   0.11207   0.99352
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.87436     0.32059     0.28564
 Rotational constants (GHZ):          18.21863     6.68008     5.95181
 Zero-point vibrational energy     223831.3 (Joules/Mol)
                                   53.49697 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.07   529.91   593.79  1112.58  1217.56
          (Kelvin)           1307.95  1403.41  1501.02  1627.08  1666.91
                             1679.99  1712.30  1864.20  2024.94  2073.31
                             2134.02  2153.56  2204.46  4363.78  4436.58
                             4447.21  4448.47  4481.31  4557.05
 
 Zero-point correction=                           0.085253 (Hartree/Particle)
 Thermal correction to Energy=                    0.089666
 Thermal correction to Enthalpy=                  0.090610
 Thermal correction to Gibbs Free Energy=         0.058882
 Sum of electronic and zero-point Energies=           -193.114009
 Sum of electronic and thermal Energies=              -193.109597
 Sum of electronic and thermal Enthalpies=            -193.108652
 Sum of electronic and thermal Free Energies=         -193.140380
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   56.266             14.762             66.776
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.096
 Rotational               0.889              2.981             23.610
 Vibrational             54.489              8.801              5.069
 Vibration     1          0.642              1.828              2.056
 Vibration     2          0.741              1.537              1.087
 Vibration     3          0.776              1.443              0.917
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.824081D-27        -27.084030        -62.363284
 Total V=0       0.134749D+13         12.129526         27.929265
 Vib (Bot)       0.147031D-38        -38.832591        -89.415345
 Vib (Bot)    1  0.952867D+00         -0.020968         -0.048280
 Vib (Bot)    2  0.494886D+00         -0.305495         -0.703428
 Vib (Bot)    3  0.427820D+00         -0.368739         -0.849053
 Vib (V=0)       0.240417D+01          0.380965          0.877204
 Vib (V=0)    1  0.157608D+01          0.197579          0.454943
 Vib (V=0)    2  0.120350D+01          0.080446          0.185234
 Vib (V=0)    3  0.115805D+01          0.063727          0.146737
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.173806D+08          7.240066         16.670868
 Rotational      0.322474D+05          4.508495         10.381193
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33333 3                                                           111 11    1  1111   1                                         
     11000 0                                                           544 44    2  1111   0 9  9  8 7              4 3     2        
     61998 3                                                           398 40    9  9653   4 7  0  4 7              1 6     0        
     75214 3                                                           273 17    6  0891   3 5  9  6 3              3 8     9        
 
     XXXXX X                                                           XXX XX    X  XXXX   X X  X  X X              X X     X        
     XXXXX X                                                           XXX XX    X   X X   X X     X X              X X              
     XXXXX X                                                           XXX X     X     X   X X     X X                               
     XXXXX X                                                               X               X X     X X                               
     XXXXX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                       X                                 
     XX XX                                                                 X                       X                                 
     XX  X                                                                 X                       X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
                                                                                                   X                                 
                                                                                                   X                                 
                                                                                                   X                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001753   -0.000000545    0.000000103
      2        6          -0.000002096   -0.000001456    0.000003468
      3        8          -0.000000351   -0.000000432    0.000000897
      4        1           0.000003247    0.000000589   -0.000003758
      5        1          -0.000001297    0.000000211    0.000001116
      6        1           0.000000049    0.000000068    0.000000469
      7        6           0.000002878   -0.000001473   -0.000003016
      8        1          -0.000003004    0.000001178    0.000001581
      9        1           0.000000402    0.000000237   -0.000000877
     10        1          -0.000001580    0.000001623    0.000000018
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000003758 RMS     0.000001730
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.522567D+00
      2 -0.157126D+00  0.439494D+00
      3 -0.108173D+00 -0.135505D+00  0.549398D+00
      4 -0.205289D+00  0.124831D+00 -0.607234D-01  0.592733D+00
      5  0.765727D-01 -0.498009D-01  0.516438D-01 -0.382914D-01  0.279221D+00
      6 -0.696786D-01  0.772233D-01 -0.862307D-01  0.336646D-01 -0.895262D-01
      7 -0.324195D-01 -0.100829D-02  0.168730D-01 -0.113853D+00 -0.483605D-01
      8  0.388367D-01 -0.217794D+00 -0.121355D-01 -0.866648D-01 -0.844057D-01
      9  0.258899D-01 -0.330541D-01 -0.546621D-01 -0.536510D-01 -0.378219D-01
     10 -0.535078D-01 -0.938752D-02  0.293756D-01  0.434096D-02  0.147296D-01
     11 -0.124654D-01 -0.112845D+00  0.118141D+00  0.127956D-03 -0.498189D-02
     12  0.275079D-01  0.123557D+00 -0.249626D+00  0.460161D-02  0.600940D-02
     13 -0.209076D+00  0.453904D-01  0.131543D+00 -0.135676D-01  0.288948D-02
     14  0.388132D-01 -0.541025D-01 -0.275256D-01 -0.126420D-02 -0.746937D-02
     15  0.131152D+00 -0.267949D-01 -0.156183D+00 -0.133386D-01  0.200689D-02
     16 -0.273725D-02  0.135840D-02 -0.197146D-01 -0.502986D-01 -0.204812D-02
     17 -0.415486D-02 -0.680000D-02  0.236040D-01  0.263555D-02 -0.577838D-01
     18 -0.745279D-03 -0.278877D-02 -0.323732D-02  0.118235D-01  0.603984D-01
     19 -0.188137D-01 -0.409320D-02  0.521320D-02 -0.181885D+00 -0.503361D-02
     20  0.227294D-01 -0.179650D-03 -0.171867D-01  0.171299D-02 -0.743107D-01
     21 -0.497664D-02 -0.265159D-02  0.172865D-02  0.647057D-01  0.805986D-02
     22  0.164073D-02  0.311829D-03  0.168179D-02  0.985356D-03 -0.636406D-02
     23  0.134417D-03  0.113671D-02 -0.851464D-03 -0.434617D-03 -0.201197D-02
     24 -0.103326D-02 -0.134984D-03  0.279418D-03 -0.165294D-02  0.243364D-02
     25 -0.344474D-02  0.572262D-03  0.529160D-02 -0.202283D-01  0.278409D-01
     26 -0.234901D-02  0.753746D-03 -0.374498D-03 -0.227063D-02  0.394280D-02
     27  0.944319D-03  0.399617D-03 -0.172869D-02  0.885914D-02 -0.143811D-01
     28  0.108053D-02 -0.849717D-03 -0.136733D-02 -0.129380D-01 -0.219349D-01
     29 -0.991628D-03  0.137592D-03  0.189888D-03 -0.382177D-03 -0.239906D-02
     30 -0.887061D-03 -0.250263D-03  0.262561D-03  0.571143D-02  0.111773D-01
                6             7             8             9            10 
      6  0.620284D+00
      7 -0.412045D-01  0.171671D+00
      8 -0.579937D-01  0.488325D-01  0.340333D+00
      9 -0.105293D+00  0.543535D-01  0.831523D-01  0.145693D+00
     10 -0.236221D-01 -0.314058D-03 -0.140659D-02  0.244505D-02  0.493774D-01
     11 -0.502454D-02  0.566348D-02 -0.275027D-01  0.256987D-01  0.633000D-02
     12 -0.121556D-01 -0.382412D-02 -0.485119D-02  0.158442D-01 -0.274379D-01
     13  0.185601D-01  0.657210D-02  0.523700D-02 -0.772865D-02  0.279189D-03
     14  0.175703D-02  0.307806D-01 -0.165903D-01 -0.174354D-01 -0.118415D-01
     15  0.120492D-01  0.510287D-02 -0.668230D-02 -0.739214D-03  0.186465D-01
     16  0.123893D-01 -0.675517D-02  0.288887D-02 -0.207564D-01 -0.158989D-02
     17  0.643553D-01 -0.519627D-02  0.587008D-02 -0.310666D-01  0.309743D-02
     18 -0.301865D+00 -0.124503D-01 -0.177007D-02 -0.132831D-01  0.450162D-03
     19  0.582050D-01 -0.236860D-01 -0.561593D-02 -0.136371D-02  0.150210D-02
     20  0.869755D-02 -0.342129D-01 -0.209315D-02  0.893042D-02 -0.134591D-02
     21 -0.118070D+00 -0.206588D-01 -0.231672D-02  0.884985D-02 -0.971823D-03
     22  0.331769D-01  0.294810D-02 -0.443335D-05 -0.176061D-02 -0.236067D-03
     23  0.262741D-02  0.597754D-03 -0.580863D-03  0.252871D-03  0.381633D-04
     24 -0.172650D-01 -0.471823D-03  0.223944D-03  0.247839D-02  0.749255D-03
     25 -0.469240D-02  0.332653D-02 -0.170325D-02 -0.955700D-03  0.411765D-03
     26 -0.966769D-03  0.211847D-02  0.129630D-02  0.507584D-03 -0.164323D-03
     27  0.183683D-02 -0.123467D-02  0.126764D-02  0.595382D-03  0.323041D-03
     28 -0.167983D-01 -0.748996D-02 -0.400084D-03  0.352766D-02 -0.263538D-03
     29 -0.114940D-02  0.785134D-03  0.146759D-02  0.836133D-03 -0.492901D-04
     30  0.670902D-02  0.351484D-02  0.110557D-02  0.516082D-03  0.422028D-04
               11            12            13            14            15 
     11  0.136927D+00
     12 -0.133919D+00  0.254914D+00
     13  0.495808D-03 -0.814634D-03  0.216528D+00
     14  0.712167D-02  0.869025D-02 -0.564753D-01  0.690496D-01
     15 -0.506683D-02 -0.113866D-01 -0.140335D+00  0.350583D-01  0.156294D+00
     16 -0.984815D-03 -0.747039D-03  0.929420D-03  0.886456D-03  0.410794D-03
     17  0.123473D-02  0.172391D-02 -0.826827D-03  0.348063D-03 -0.135112D-02
     18 -0.178809D-03  0.869703D-03 -0.471049D-03 -0.108204D-03  0.494254D-04
     19  0.201972D-03  0.111314D-02 -0.578771D-03 -0.679252D-03 -0.507797D-03
     20  0.159607D-03 -0.991024D-03  0.364351D-02  0.144052D-02  0.290643D-02
     21  0.922941D-03  0.688529D-03 -0.995543D-03  0.906235D-04 -0.759928D-03
     22  0.324974D-03 -0.504243D-03  0.165126D-03  0.145415D-03 -0.171597D-03
     23 -0.159620D-03 -0.148197D-03  0.338510D-04 -0.626311D-04  0.645385D-04
     24 -0.147628D-03  0.602047D-03 -0.148464D-03 -0.306311D-03  0.220988D-03
     25  0.274760D-04  0.194240D-03 -0.124519D-02 -0.580720D-03 -0.107130D-02
     26 -0.126657D-04 -0.982714D-04 -0.220168D-03  0.158106D-03 -0.517973D-04
     27 -0.169722D-03  0.260881D-03  0.378556D-03 -0.155993D-03  0.539021D-03
     28  0.278539D-03 -0.890155D-04 -0.607185D-05  0.215323D-03  0.112600D-03
     29  0.594475D-04  0.275982D-04 -0.167784D-03  0.106842D-03 -0.891889D-04
     30 -0.255962D-03 -0.106093D-04  0.117387D-04 -0.647009D-04 -0.837720D-04
               16            17            18            19            20 
     16  0.622571D-01
     17  0.373646D-02  0.542254D-01
     18 -0.112509D-02 -0.595022D-01  0.326445D+00
     19  0.169861D-02  0.166711D-02 -0.473351D-03  0.500119D+00
     20 -0.572941D-02  0.167721D-02  0.395190D-02 -0.766714D-02  0.554605D+00
     21  0.285766D-01  0.254975D-02 -0.970476D-02  0.329686D-01  0.268549D-03
     22 -0.533181D-02 -0.665199D-03  0.203307D-02 -0.500388D-01  0.593927D-02
     23 -0.440719D-03  0.900727D-03  0.897395D-04  0.587850D-02 -0.577923D-01
     24  0.261602D-02  0.138230D-03  0.554833D-03 -0.237798D-01  0.533873D-01
     25  0.902041D-03 -0.686461D-03  0.863378D-04 -0.113447D+00  0.112982D+00
     26  0.552699D-03  0.216284D-03 -0.513585D-03  0.114135D+00 -0.236827D+00
     27 -0.661125D-03 -0.194128D-03  0.263920D-03 -0.135523D-01  0.242170D-01
     28  0.925528D-03  0.393074D-03  0.871912D-03 -0.114870D+00 -0.980522D-01
     29 -0.219813D-03  0.111342D-03  0.421617D-03 -0.987935D-01 -0.186679D+00
     30 -0.988530D-03 -0.257173D-03 -0.925115D-04 -0.578230D-01 -0.841814D-01
               21            22            23            24            25 
     21  0.563747D+00
     22 -0.278030D-01  0.536781D-01
     23  0.531706D-01 -0.668060D-02  0.576919D-01
     24 -0.297257D+00  0.250954D-01 -0.588635D-01  0.323990D+00
     25 -0.138377D-01 -0.190441D-02  0.198673D-02 -0.439693D-03  0.126032D+00
     26  0.239484D-01  0.207073D-02 -0.500511D-02  0.558536D-03 -0.125785D+00
     27 -0.510743D-01 -0.159971D-01  0.273112D-01 -0.187242D-02  0.128245D-01
     28 -0.570074D-01 -0.190639D-02 -0.111348D-02 -0.934626D-03  0.959803D-02
     29 -0.840423D-01  0.492208D-02  0.588316D-02  0.271078D-02 -0.146543D-01
     30 -0.981485D-01 -0.157506D-01 -0.236531D-01 -0.117314D-01  0.260013D-02
               26            27            28            29            30 
     26  0.255462D+00
     27 -0.260045D-01  0.502147D-01
     28  0.119121D-01  0.811556D-02  0.125870D+00
     29 -0.199837D-01 -0.122900D-01  0.109551D+00  0.201296D+00
     30  0.299490D-02  0.964718D-03  0.635689D-01  0.933849D-01  0.101614D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.467707D+02 -0.230972D+01  0.817830D+00
      2  -0.230972D+01  0.386450D+02 -0.604504D+00
      3   0.817830D+00 -0.604504D+00  0.383095D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.720951D+00  0.805367D+00 -0.591153D+01
      2  -0.410181D+01  0.672911D+00  0.701221D+01
      3   0.362505D+01 -0.625810D+01 -0.130725D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.236566D+02 -0.245911D+00  0.279240D+01
      2  -0.141631D+02  0.523255D+01 -0.692245D+01
      3  -0.949343D+01 -0.498664D+01  0.413005D+01
      4   0.171759D+02  0.696809D+01 -0.115880D+01
      5   0.430563D+01  0.147506D+00  0.133828D+02
      6  -0.178329D+01 -0.460868D+01  0.133199D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.371269D+01  0.115897D+01 -0.397225D+01 -0.252343D+00 -0.968727D+00
      2   0.115897D+01 -0.273172D+00  0.184764D+01 -0.968727D+00  0.476021D+01
      3  -0.397225D+01  0.184764D+01 -0.793992D-01  0.779661D+00  0.208710D+01
                 6             7             8             9            10 
      1   0.779661D+00 -0.587441D+01  0.191804D+01  0.325102D+00  0.630443D+01
      2   0.208710D+01  0.191804D+01  0.225823D+01 -0.236214D+01 -0.101417D+01
      3  -0.219584D+01  0.325102D+00 -0.236214D+01  0.139197D+01  0.303701D+01
                11            12            13            14            15 
      1  -0.101417D+01  0.303701D+01 -0.132673D+01  0.434346D+01  0.410484D+00
      2   0.218283D+01  0.121504D+00  0.434346D+01 -0.315250D+00  0.130232D+01
      3   0.121504D+00 -0.283154D-01  0.410484D+00  0.130232D+01  0.122131D+01
                16            17            18            19            20 
      1   0.410854D+01  0.726915D+00  0.734248D+00 -0.383130D+01 -0.360856D+01
      2   0.726915D+00  0.913412D+00  0.154992D+01 -0.360856D+01 -0.823752D+00
      3   0.734248D+00  0.154992D+01 -0.687839D+01 -0.123724D+01 -0.310110D+00
                21            22            23            24            25 
      1  -0.123724D+01 -0.184819D+01 -0.267572D+01 -0.566569D+00 -0.173102D+01
      2  -0.310110D+00 -0.267572D+01 -0.860230D+01 -0.172120D+01 -0.119659D+01
      3   0.199706D+00 -0.566569D+00 -0.172120D+01 -0.704023D+00 -0.129227D+01
                26            27            28            29            30 
      1  -0.119659D+01 -0.129227D+01 -0.191427D+00  0.916551D+00 -0.322520D+00
      2  -0.138981D+01 -0.218939D+01  0.916551D+00 -0.202223D-01 -0.428947D+00
      3  -0.218939D+01 -0.135662D+01 -0.322520D+00 -0.428947D+00  0.235743D+00
                31            32            33            34            35 
      1   0.132657D+01 -0.714988D+00  0.315256D+00 -0.106199D+01  0.287043D+00
      2  -0.714988D+00  0.332837D+01 -0.261489D+01  0.287043D+00 -0.321003D+01
      3   0.315256D+00 -0.261489D+01  0.258813D+01 -0.726517D+00  0.300845D+01
                36            37            38            39            40 
      1  -0.726517D+00 -0.635255D+01  0.215018D+01  0.260492D+01  0.183638D+01
      2   0.300845D+01  0.215018D+01 -0.192056D+01 -0.925868D+00 -0.177652D+01
      3  -0.490229D+01  0.260492D+01 -0.925868D+00 -0.216383D+01 -0.620678D+00
                41            42            43            44            45 
      1  -0.177652D+01 -0.620678D+00  0.395708D+01 -0.127461D+01 -0.238335D+01
      2   0.133249D+01  0.542184D+00 -0.127461D+01  0.873944D+00  0.146066D+01
      3   0.542184D+00  0.910030D+00 -0.238335D+01  0.146066D+01  0.257592D+01
                46            47            48            49            50 
      1   0.759954D+00 -0.899859D-01  0.112944D+01 -0.184663D+00 -0.365854D+00
      2  -0.899859D-01 -0.141764D+00 -0.661637D-01 -0.365854D+00 -0.701372D+00
      3   0.112944D+01 -0.661637D-01  0.181202D+00 -0.605461D-01  0.113047D+01
                51            52            53            54            55 
      1  -0.605461D-01  0.164477D+01 -0.202382D+00  0.428586D+00 -0.149504D+01
      2   0.113047D+01 -0.202382D+00  0.135125D+01 -0.130351D+01  0.771637D+00
      3  -0.142877D+01  0.428586D+00 -0.130351D+01  0.983136D+01 -0.223479D+01
                56            57            58            59            60 
      1   0.771637D+00 -0.223479D+01  0.979927D+00 -0.536519D+01 -0.119689D+01
      2  -0.454202D+01 -0.106825D+01 -0.536519D+01  0.134326D+01 -0.154967D+01
      3  -0.106825D+01  0.390896D+00 -0.119689D+01 -0.154967D+01 -0.228808D+01
                61            62            63            64            65 
      1  -0.236089D+01 -0.116790D+01 -0.315290D+00 -0.120922D+00  0.134346D+00
      2  -0.116790D+01 -0.174830D+01 -0.205201D+01  0.134346D+00  0.354989D+00
      3  -0.315290D+00 -0.205201D+01  0.581396D+01 -0.606172D+00  0.119494D+00
                66            67            68            69            70 
      1  -0.606172D+00  0.415935D+00  0.764863D+00 -0.887727D-01 -0.198372D+01
      2   0.119494D+00  0.764863D+00  0.515839D+00 -0.910280D+00 -0.620552D-01
      3  -0.429206D+00 -0.887727D-01 -0.910280D+00  0.121289D+01  0.104659D+01
                71            72            73            74            75 
      1  -0.620552D-01  0.104659D+01  0.436099D+01 -0.240904D+01  0.351522D+00
      2  -0.140039D+01  0.112347D+01 -0.240904D+01  0.284430D+01 -0.551377D-02
      3   0.112347D+01 -0.759754D+01  0.351522D+00 -0.551377D-02  0.685688D+00
                76            77            78            79            80 
      1  -0.432437D+01  0.369606D+01  0.129762D+00  0.868504D+00 -0.320479D-01
      2   0.369606D+01 -0.550195D+01  0.358970D+00 -0.320479D-01  0.607241D+00
      3   0.129762D+00  0.358970D+00 -0.107919D+01  0.865281D+00 -0.653882D+00
                81            82            83            84            85 
      1   0.865281D+00  0.427855D+01  0.199007D+01  0.125008D+01  0.337749D+01
      2  -0.653882D+00  0.199007D+01  0.233936D+01  0.716218D+00  0.306260D+01
      3  -0.249944D+00  0.125008D+01  0.716218D+00  0.100751D+01  0.898295D+00
                86            87            88            89            90 
      1   0.306260D+01  0.898295D+00  0.243314D+01  0.100359D+01  0.131762D+01
      2   0.384069D+01  0.137500D+01  0.100359D+01  0.174446D+01  0.141843D+01
      3   0.137500D+01  0.176353D+01  0.131762D+01  0.141843D+01  0.137157D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.600467D+01 -0.226343D+01 -0.387061D+00 -0.239082D+01 -0.118368D+01
      2   0.640122D+01 -0.382790D+01  0.205714D+01 -0.196719D+01 -0.180670D+01
      3   0.973300D+00 -0.405483D+01 -0.106929D+01  0.883378D+00  0.282225D+01
                 6             7             8             9            10 
      1   0.200628D+01 -0.304974D+01  0.555226D+01 -0.168489D+01 -0.224582D+01
      2   0.348474D+01 -0.201001D+01  0.428454D+01  0.107531D+00 -0.260343D+01
      3   0.406860D+01 -0.311603D+01  0.434092D+01 -0.241236D+01  0.635732D+00
                11            12            13            14            15 
      1   0.220722D+01  0.227045D-01  0.225764D+01 -0.604906D+00 -0.219452D+01
      2   0.115640D+01 -0.137046D+01  0.164582D+01 -0.193281D+01 -0.464563D+00
      3  -0.168418D+01  0.268148D+00  0.597845D+01  0.700908D+00  0.251369D-01
                16            17            18            19            20 
      1   0.778949D+00  0.589809D+00  0.171070D+01 -0.167898D+01 -0.671030D+00
      2  -0.847648D+01  0.391499D+00 -0.420659D+01  0.186452D+01  0.127089D+01
      3   0.101164D+01 -0.104525D+01 -0.307293D+00  0.150131D+01 -0.283831D+01
                21            22            23            24            25 
      1  -0.247670D+01 -0.100929D+01  0.229480D+01 -0.788210D+01 -0.108657D+01
      2   0.418659D+01 -0.144495D+01  0.228607D+01  0.266090D+01 -0.280410D+01
      3   0.180517D+00  0.790233D+01 -0.888933D+01 -0.157487D+01  0.250324D+01
                26            27            28            29            30 
      1   0.294712D+01 -0.227639D+01  0.196698D+00  0.509365D+00 -0.225007D+00
      2   0.181396D+01  0.201671D+01  0.103457D+01  0.326504D+00  0.258810D+00
      3  -0.890505D+00 -0.565722D+00  0.124340D+01  0.191009D+00 -0.523194D+00
                31            32            33            34            35 
      1  -0.208350D+00  0.690685D+00 -0.344536D+01  0.355011D+00 -0.313642D+00
      2   0.768146D+00  0.319396D+01 -0.320610D+01 -0.193355D+01 -0.353182D+01
      3   0.195587D+01  0.381551D+01 -0.288207D+01 -0.170419D+01 -0.368439D+01
                36            37            38            39            40 
      1   0.566810D+01 -0.287444D+01 -0.294017D+00  0.274428D+01  0.447650D+00
      2   0.583617D+01 -0.212465D+01  0.118397D+01  0.460294D+01  0.561806D+00
      3   0.366607D+01 -0.307034D+01 -0.282063D+01  0.110135D+01  0.246521D+00
                41            42            43            44            45 
      1  -0.294232D+00 -0.168231D+01  0.251610D+01 -0.279034D+00 -0.304972D+01
      2  -0.892066D+00 -0.185502D+01  0.110021D+01 -0.172828D+01 -0.412339D+01
      3   0.938592D+00  0.306592D+00  0.226015D+01  0.889751D+00 -0.384092D+00
                46            47            48            49            50 
      1   0.751099D-01  0.167119D+00  0.515365D+00 -0.397575D+00 -0.897289D+00
      2  -0.123954D+00 -0.110186D+00  0.202255D+00  0.656539D+00  0.851081D+00
      3   0.410272D-01 -0.906331D+00  0.821814D-01  0.877686D+00 -0.918098D-01
                51            52            53            54            55 
      1   0.403447D+00 -0.581180D-02  0.415585D+01 -0.102619D+01  0.598783D+00
      2  -0.237067D+00 -0.422321D+01 -0.135447D+00  0.253161D+01 -0.461157D+01
      3  -0.279056D+00 -0.578584D+00 -0.311454D+00 -0.225542D+00 -0.857095D+00
                56            57            58            59            60 
      1   0.976143D+00  0.501997D-01  0.182008D+01 -0.157431D+00 -0.961935D+00
      2  -0.160445D+01  0.267475D+01 -0.197808D+01 -0.365367D+01 -0.389472D+01
      3   0.614360D+01  0.178044D+01  0.128533D+02 -0.316105D+01  0.238938D+01
                61            62            63            64            65 
      1  -0.199401D+00  0.269060D+01  0.304829D+00  0.442494D-01  0.213695D+00
      2  -0.410388D+01 -0.358697D+01  0.856495D+01 -0.188729D+01  0.114862D+00
      3   0.127159D+01  0.289577D+01  0.376895D+01 -0.395598D+00 -0.998637D+00
                66            67            68            69            70 
      1  -0.451740D-01  0.854795D-01 -0.337299D+00 -0.871444D+00 -0.207658D+00
      2   0.610027D+00  0.436039D+00 -0.118985D+01  0.239752D+01 -0.176601D+01
      3  -0.282855D+00  0.314129D-01 -0.672021D+00  0.142415D+01 -0.577534D+00
                71            72            73            74            75 
      1   0.272208D+01  0.868562D+00  0.452455D+00 -0.650015D+00  0.767830D+00
      2   0.228008D+01 -0.131443D+02  0.561887D+00 -0.306589D+00  0.267011D+01
      3   0.251540D+01 -0.214313D+01  0.394540D+01 -0.671811D+01  0.198327D-01
                76            77            78            79            80 
      1  -0.600877D+00  0.989693D+00 -0.216720D+01  0.249607D+00  0.708517D+00
      2   0.906116D-01  0.855404D+00 -0.301537D+01  0.357172D+00 -0.933263D+00
      3  -0.422553D+01  0.104456D+02 -0.678540D+00 -0.293351D+00 -0.114428D+01
                81            82            83            84            85 
      1   0.788258D-01 -0.572729D+00 -0.195050D+00 -0.966444D+00 -0.412831D+00
      2  -0.504734D+00  0.189759D+01  0.149418D+01  0.326231D+01  0.123126D+01
      3   0.775232D+00 -0.286227D+01 -0.563619D+01 -0.125503D+01 -0.311816D+01
                86            87            88            89            90 
      1  -0.198014D+00 -0.235932D+01 -0.505364D+00  0.549054D+00 -0.895935D+00
      2   0.228857D+01  0.412969D+01  0.474547D+00  0.230044D+01  0.251330D+01
      3  -0.706338D+01 -0.239057D+01 -0.776927D+00 -0.356597D+01 -0.217211D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.944419D+00 -0.232544D+00  0.883207D+01  0.652054D+01  0.652042D+00
      2   0.795988D+00  0.246322D+00 -0.483358D+01 -0.618944D+01  0.427790D+01
      3  -0.174041D+01 -0.137786D-01 -0.399849D+01 -0.331103D+00 -0.492994D+01
      4   0.145576D+01 -0.486008D+00 -0.841656D+01 -0.149781D+01 -0.629307D+01
      5   0.151503D+02 -0.660421D+01 -0.178872D+01 -0.355097D+01 -0.184625D+01
      6  -0.663324D+01  0.303301D+01  0.321888D+01  0.342123D+01  0.753582D+01
                 6             7             8             9            10 
      1  -0.871747D+01  0.124491D+02 -0.902722D+01  0.198463D+01 -0.930257D+01
      2   0.563965D+01 -0.612486D+01  0.674240D+01 -0.215448D+01  0.214103D+01
      3   0.307782D+01 -0.632424D+01  0.228482D+01  0.169842D+00  0.716154D+01
      4   0.206463D+00 -0.734647D+01 -0.154327D+01  0.528183D+01  0.662594D+00
      5   0.941929D+01 -0.250210D+01  0.552046D+01  0.887764D+00  0.469923D+00
      6  -0.103834D+02  0.256753D+01 -0.697536D+01  0.456911D+01  0.805716D+00
                11            12            13            14            15 
      1  -0.123490D+01  0.357466D+01 -0.479300D-01 -0.142932D+01  0.547213D+00
      2   0.693490D+00  0.987580D-01 -0.942264D+00  0.167762D+01 -0.153376D+01
      3   0.541408D+00 -0.367342D+01  0.990194D+00 -0.248300D+00  0.986552D+00
      4  -0.576135D+01  0.163465D+01 -0.397743D-01 -0.232397D+01 -0.924249D+00
      5   0.936400D+00 -0.701612D+01  0.148855D+01 -0.594913D+00 -0.404454D+00
      6   0.524023D+00  0.438294D+00  0.152149D+01 -0.422043D+00  0.306786D+01
                16            17            18            19            20 
      1   0.479577D+00 -0.241430D+01  0.120676D+02  0.628295D+01  0.560987D+01
      2  -0.120920D+01  0.343779D+00  0.582622D+01 -0.729815D-01 -0.199636D+01
      3   0.729621D+00  0.207052D+01 -0.178939D+02 -0.620997D+01 -0.361351D+01
      4   0.999563D+00 -0.994557D+00  0.170105D+01  0.103638D+02  0.129694D+02
      5   0.908241D+00  0.782676D+00 -0.474991D+01  0.188051D+01  0.277937D+01
      6   0.610576D+00 -0.457987D-01  0.443558D+01  0.302612D+01  0.917429D+00
                21            22            23            24            25 
      1  -0.162170D+01  0.111431D+01 -0.106032D+02 -0.212707D+01  0.484668D+00
      2  -0.196075D+01  0.276097D+01  0.184131D+02 -0.142001D+01 -0.186646D+00
      3   0.358245D+01 -0.387528D+01 -0.780994D+01  0.354708D+01 -0.298022D+00
      4   0.306627D+01  0.133835D+02  0.180780D+02  0.122702D+01  0.295669D+01
      5   0.818997D+01  0.326012D+01  0.774448D+00  0.144012D+01  0.539878D+01
      6   0.861734D+00 -0.147585D+01  0.318691D+01  0.116035D+02  0.236505D+01
                26            27            28            29            30 
      1  -0.154508D+01 -0.658156D+01  0.892345D+00 -0.272229D+01  0.126201D+01
      2   0.800714D-01 -0.539157D+00 -0.315136D+00  0.154978D+01 -0.335090D+00
      3   0.146500D+01  0.712072D+01 -0.577209D+00  0.117251D+01 -0.926917D+00
      4   0.370302D+01  0.495663D+01 -0.204201D+01  0.345477D+01 -0.126237D+01
      5   0.457702D+01  0.455900D+01 -0.277236D+00 -0.831626D+00  0.345240D+01
      6   0.906377D+01  0.575907D+01 -0.186270D+01 -0.104737D+01  0.112412D+00
                31            32            33            34            35 
      1  -0.198115D+01 -0.797994D+01  0.619770D+01  0.678190D+00  0.780796D+01
      2   0.862104D+00  0.973156D+01 -0.511801D+01 -0.699873D+00 -0.586603D+01
      3   0.111905D+01 -0.175162D+01 -0.107969D+01  0.216829D-01 -0.194194D+01
      4   0.505714D+01 -0.590622D+01  0.435721D+01 -0.317591D+01  0.550731D+01
      5  -0.229924D+01  0.526243D+01 -0.579332D+01  0.511135D+01 -0.640141D+01
      6   0.110623D+01 -0.108494D+02  0.104584D+02 -0.209242D+01  0.120483D+02
                36            37            38            39            40 
      1  -0.955823D+01  0.241401D+02 -0.489756D+01 -0.732923D+01 -0.423586D+01
      2   0.357173D+00 -0.118222D+02  0.260008D+00  0.480654D+01 -0.170680D+00
      3   0.920106D+01 -0.123180D+02  0.463755D+01  0.252269D+01  0.440654D+01
      4  -0.518164D+01 -0.147858D+02  0.104170D+02  0.574896D+01  0.969986D+01
      5   0.106008D+02 -0.134496D+02  0.460973D+01  0.106517D+02  0.293757D+01
      6  -0.143755D+02  0.620447D+01 -0.338369D+01 -0.502430D+01 -0.318762D+01
                41            42            43            44            45 
      1   0.272149D+01  0.791543D+00 -0.105369D+02  0.238994D+01  0.305885D+01
      2   0.100864D+01  0.439245D+00  0.684353D+01 -0.684044D+00 -0.508684D+01
      3  -0.373013D+01 -0.123079D+01  0.369338D+01 -0.170589D+01  0.202799D+01
      4  -0.664598D+01 -0.366864D+01  0.768273D+01 -0.514488D+01 -0.621150D+01
      5  -0.325581D+01 -0.337812D+01  0.123892D+02 -0.552617D+01 -0.111295D+02
      6   0.268085D+01  0.463558D+01 -0.531462D+01  0.540750D+01  0.517648D+01
                46            47            48            49            50 
      1   0.367062D+00 -0.129265D+00  0.320987D+00 -0.106050D+00 -0.411665D+01
      2  -0.298866D+01  0.284954D-01 -0.132117D+00  0.326705D+00  0.619334D+00
      3   0.262160D+01  0.100770D+00 -0.188869D+00 -0.220655D+00  0.349732D+01
      4  -0.279277D+00  0.221361D+01 -0.780627D+00  0.155325D+01 -0.421256D+00
      5   0.785407D+00 -0.935654D+00  0.752390D+01 -0.113314D+01  0.103222D+01
      6  -0.900129D+00 -0.219877D-01  0.860784D-01 -0.526737D-01 -0.272124D+01
                51            52            53            54            55 
      1   0.381634D+01 -0.511677D+00  0.332459D+01 -0.226220D+02  0.304581D+01
      2   0.505248D+00 -0.108458D+01  0.189753D+00 -0.132834D+02 -0.481013D+01
      3  -0.432159D+01  0.159626D+01 -0.351434D+01  0.359054D+02  0.176432D+01
      4   0.645343D+00 -0.399839D+00  0.292326D+00 -0.757026D+00  0.246671D+01
      5  -0.778184D+00  0.567127D+01 -0.650281D+00  0.359526D+01 -0.985370D+01
      6   0.701309D+01 -0.747206D+00  0.656933D+01 -0.566287D+01 -0.254772D+01
                56            57            58            59            60 
      1   0.222443D+01 -0.712206D+01  0.187007D+01 -0.139131D+02 -0.353076D+01
      2  -0.123912D+00  0.303189D+01  0.272404D+00  0.285483D+01  0.352545D+00
      3  -0.210052D+01  0.409017D+01 -0.214247D+01  0.110583D+02  0.317821D+01
      4  -0.164289D+02 -0.421713D+01 -0.226243D+02  0.508258D+01 -0.684364D+01
      5  -0.403569D+01  0.160623D+01 -0.548597D+01 -0.652236D+01 -0.695871D+01
      6  -0.107174D+01 -0.473347D+00 -0.166516D+01 -0.289448D+01 -0.154909D+01
                61            62            63            64            65 
      1  -0.869783D+01 -0.411204D+01  0.611465D+01  0.126333D+00  0.386512D+00
      2   0.212201D+01 -0.350390D+00  0.128969D+01 -0.155540D+01 -0.387950D+00
      3   0.657582D+01  0.446243D+01 -0.740434D+01  0.142907D+01  0.143806D-02
      4  -0.547910D+01 -0.724435D+01 -0.697986D+01  0.106031D+00  0.267595D+01
      5  -0.448315D+00 -0.669811D+01  0.126216D+02 -0.116221D+01 -0.344211D+00
      6  -0.151166D+01 -0.932154D+00  0.188653D+01 -0.722788D+00  0.573843D+00
                66            67            68            69            70 
      1  -0.296975D+01  0.979127D+00 -0.838714D+00  0.217316D+01 -0.464974D+01
      2   0.125565D+01 -0.798171D+00  0.781886D+00 -0.120105D+00  0.407401D+01
      3   0.171411D+01 -0.180956D+00  0.568283D-01 -0.205306D+01  0.575728D+00
      4  -0.568772D+00  0.424220D+01  0.131862D+01 -0.231539D+01 -0.119258D+01
      5   0.442731D+01 -0.706396D+00 -0.203999D+01  0.398397D+01  0.720141D+01
      6   0.310612D+00 -0.295854D+00 -0.194396D+01  0.540079D+01  0.859286D+00
                71            72            73            74            75 
      1   0.237852D+01 -0.113665D+02  0.184480D+02 -0.942849D+01  0.127779D+01
      2  -0.371733D+00 -0.880358D+01 -0.632043D+01  0.259105D+01 -0.473765D+00
      3  -0.200679D+01  0.201701D+02 -0.121276D+02  0.683744D+01 -0.804022D+00
      4  -0.436653D+01  0.400387D+01 -0.132201D+02  0.154582D+02 -0.204098D+00
      5   0.354027D+01 -0.222657D+02  0.959444D+00  0.178216D-02  0.471813D+01
      6   0.542195D+01 -0.508262D+01  0.388182D+00 -0.415797D+00 -0.957999D+00
                76            77            78            79            80 
      1  -0.132412D+02  0.569351D+01 -0.253581D+00  0.245854D+01  0.515841D+00
      2   0.270409D+01  0.617932D+01 -0.168133D+00 -0.796284D+00 -0.449168D+00
      3   0.105371D+02 -0.118728D+02  0.421714D+00 -0.166226D+01 -0.666733D-01
      4   0.193768D+02 -0.232969D+02  0.177503D+01 -0.303041D+00  0.223747D+01
      5   0.428833D+00  0.145776D+01 -0.518025D+01  0.527392D+01 -0.350422D+01
      6  -0.622673D+00  0.102725D+01  0.371300D+01 -0.176133D+01  0.376395D+01
                81            82            83            84            85 
      1   0.539850D+00  0.174165D+02  0.734461D+01  0.486567D+01  0.106680D+02
      2  -0.892627D+00 -0.623259D+01 -0.132111D+01 -0.200276D+01 -0.190534D+01
      3   0.352777D+00 -0.111839D+02 -0.602350D+01 -0.286291D+01 -0.876263D+01
      4  -0.297412D+01  0.129625D+02  0.141324D+02  0.439518D+01  0.176198D+02
      5  -0.139423D+00  0.631500D+01  0.381960D+01  0.654471D+01  0.506065D+01
      6  -0.114262D+01  0.224208D+01  0.892274D+00  0.142763D+01  0.206871D+01
                86            87            88            89            90 
      1   0.405047D+01  0.150592D+01  0.730085D+01  0.108480D+01  0.823099D+00
      2   0.598254D+01  0.617322D+00 -0.348333D+01  0.768358D+00 -0.225265D+01
      3  -0.100330D+02 -0.212324D+01 -0.381752D+01 -0.185316D+01  0.142955D+01
      4   0.180984D+02  0.635869D+01  0.625796D+01  0.755345D+01  0.616077D+01
      5   0.573247D+01  0.764966D+01  0.776692D+01  0.605005D+01  0.683792D+01
      6   0.379582D+01  0.434972D+01  0.271508D+01  0.432355D+01  0.383239D+01
 Leave Link  716 at Fri Jul 16 19:17:17 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.467707D+02 -0.230972D+01  0.817830D+00
      2  -0.230972D+01  0.386450D+02 -0.604504D+00
      3   0.817830D+00 -0.604504D+00  0.383095D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.720951D+00  0.805367D+00 -0.591153D+01
      2  -0.410181D+01  0.672911D+00  0.701221D+01
      3   0.362505D+01 -0.625810D+01 -0.130725D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.236566D+02 -0.245911D+00  0.279240D+01
      2  -0.141631D+02  0.523255D+01 -0.692245D+01
      3  -0.949343D+01 -0.498664D+01  0.413005D+01
      4   0.171759D+02  0.696809D+01 -0.115880D+01
      5   0.430563D+01  0.147506D+00  0.133828D+02
      6  -0.178329D+01 -0.460868D+01  0.133199D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.371269D+01  0.115897D+01 -0.397225D+01 -0.252343D+00 -0.968727D+00
      2   0.115897D+01 -0.273172D+00  0.184764D+01 -0.968727D+00  0.476021D+01
      3  -0.397225D+01  0.184764D+01 -0.793992D-01  0.779661D+00  0.208710D+01
                 6             7             8             9            10 
      1   0.779661D+00 -0.587441D+01  0.191804D+01  0.325102D+00  0.630443D+01
      2   0.208710D+01  0.191804D+01  0.225823D+01 -0.236214D+01 -0.101417D+01
      3  -0.219584D+01  0.325102D+00 -0.236214D+01  0.139197D+01  0.303701D+01
                11            12            13            14            15 
      1  -0.101417D+01  0.303701D+01 -0.132673D+01  0.434346D+01  0.410484D+00
      2   0.218283D+01  0.121504D+00  0.434346D+01 -0.315250D+00  0.130232D+01
      3   0.121504D+00 -0.283154D-01  0.410484D+00  0.130232D+01  0.122131D+01
                16            17            18            19            20 
      1   0.410854D+01  0.726915D+00  0.734248D+00 -0.383130D+01 -0.360856D+01
      2   0.726915D+00  0.913412D+00  0.154992D+01 -0.360856D+01 -0.823752D+00
      3   0.734248D+00  0.154992D+01 -0.687839D+01 -0.123724D+01 -0.310110D+00
                21            22            23            24            25 
      1  -0.123724D+01 -0.184819D+01 -0.267572D+01 -0.566569D+00 -0.173102D+01
      2  -0.310110D+00 -0.267572D+01 -0.860230D+01 -0.172120D+01 -0.119659D+01
      3   0.199706D+00 -0.566569D+00 -0.172120D+01 -0.704023D+00 -0.129227D+01
                26            27            28            29            30 
      1  -0.119659D+01 -0.129227D+01 -0.191427D+00  0.916551D+00 -0.322520D+00
      2  -0.138981D+01 -0.218939D+01  0.916551D+00 -0.202223D-01 -0.428947D+00
      3  -0.218939D+01 -0.135662D+01 -0.322520D+00 -0.428947D+00  0.235743D+00
                31            32            33            34            35 
      1   0.132657D+01 -0.714988D+00  0.315256D+00 -0.106199D+01  0.287043D+00
      2  -0.714988D+00  0.332837D+01 -0.261489D+01  0.287043D+00 -0.321003D+01
      3   0.315256D+00 -0.261489D+01  0.258813D+01 -0.726517D+00  0.300845D+01
                36            37            38            39            40 
      1  -0.726517D+00 -0.635255D+01  0.215018D+01  0.260492D+01  0.183638D+01
      2   0.300845D+01  0.215018D+01 -0.192056D+01 -0.925868D+00 -0.177652D+01
      3  -0.490229D+01  0.260492D+01 -0.925868D+00 -0.216383D+01 -0.620678D+00
                41            42            43            44            45 
      1  -0.177652D+01 -0.620678D+00  0.395708D+01 -0.127461D+01 -0.238335D+01
      2   0.133249D+01  0.542184D+00 -0.127461D+01  0.873944D+00  0.146066D+01
      3   0.542184D+00  0.910030D+00 -0.238335D+01  0.146066D+01  0.257592D+01
                46            47            48            49            50 
      1   0.759954D+00 -0.899859D-01  0.112944D+01 -0.184663D+00 -0.365854D+00
      2  -0.899859D-01 -0.141764D+00 -0.661637D-01 -0.365854D+00 -0.701372D+00
      3   0.112944D+01 -0.661637D-01  0.181202D+00 -0.605461D-01  0.113047D+01
                51            52            53            54            55 
      1  -0.605461D-01  0.164477D+01 -0.202382D+00  0.428586D+00 -0.149504D+01
      2   0.113047D+01 -0.202382D+00  0.135125D+01 -0.130351D+01  0.771637D+00
      3  -0.142877D+01  0.428586D+00 -0.130351D+01  0.983136D+01 -0.223479D+01
                56            57            58            59            60 
      1   0.771637D+00 -0.223479D+01  0.979927D+00 -0.536519D+01 -0.119689D+01
      2  -0.454202D+01 -0.106825D+01 -0.536519D+01  0.134326D+01 -0.154967D+01
      3  -0.106825D+01  0.390896D+00 -0.119689D+01 -0.154967D+01 -0.228808D+01
                61            62            63            64            65 
      1  -0.236089D+01 -0.116790D+01 -0.315290D+00 -0.120922D+00  0.134346D+00
      2  -0.116790D+01 -0.174830D+01 -0.205201D+01  0.134346D+00  0.354989D+00
      3  -0.315290D+00 -0.205201D+01  0.581396D+01 -0.606172D+00  0.119494D+00
                66            67            68            69            70 
      1  -0.606172D+00  0.415935D+00  0.764863D+00 -0.887727D-01 -0.198372D+01
      2   0.119494D+00  0.764863D+00  0.515839D+00 -0.910280D+00 -0.620552D-01
      3  -0.429206D+00 -0.887727D-01 -0.910280D+00  0.121289D+01  0.104659D+01
                71            72            73            74            75 
      1  -0.620552D-01  0.104659D+01  0.436099D+01 -0.240904D+01  0.351522D+00
      2  -0.140039D+01  0.112347D+01 -0.240904D+01  0.284430D+01 -0.551377D-02
      3   0.112347D+01 -0.759754D+01  0.351522D+00 -0.551377D-02  0.685688D+00
                76            77            78            79            80 
      1  -0.432437D+01  0.369606D+01  0.129762D+00  0.868504D+00 -0.320479D-01
      2   0.369606D+01 -0.550195D+01  0.358970D+00 -0.320479D-01  0.607241D+00
      3   0.129762D+00  0.358970D+00 -0.107919D+01  0.865281D+00 -0.653882D+00
                81            82            83            84            85 
      1   0.865281D+00  0.427855D+01  0.199007D+01  0.125008D+01  0.337749D+01
      2  -0.653882D+00  0.199007D+01  0.233936D+01  0.716218D+00  0.306260D+01
      3  -0.249944D+00  0.125008D+01  0.716218D+00  0.100751D+01  0.898295D+00
                86            87            88            89            90 
      1   0.306260D+01  0.898295D+00  0.243314D+01  0.100359D+01  0.131762D+01
      2   0.384069D+01  0.137500D+01  0.100359D+01  0.174446D+01  0.141843D+01
      3   0.137500D+01  0.176353D+01  0.131762D+01  0.141843D+01  0.137157D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.600467D+01 -0.226343D+01 -0.387061D+00 -0.239082D+01 -0.118368D+01
      2   0.640122D+01 -0.382790D+01  0.205714D+01 -0.196719D+01 -0.180670D+01
      3   0.973300D+00 -0.405483D+01 -0.106929D+01  0.883378D+00  0.282225D+01
                 6             7             8             9            10 
      1   0.200628D+01 -0.304974D+01  0.555226D+01 -0.168489D+01 -0.224582D+01
      2   0.348474D+01 -0.201001D+01  0.428454D+01  0.107531D+00 -0.260343D+01
      3   0.406860D+01 -0.311603D+01  0.434092D+01 -0.241236D+01  0.635732D+00
                11            12            13            14            15 
      1   0.220722D+01  0.227045D-01  0.225764D+01 -0.604906D+00 -0.219452D+01
      2   0.115640D+01 -0.137046D+01  0.164582D+01 -0.193281D+01 -0.464563D+00
      3  -0.168418D+01  0.268148D+00  0.597845D+01  0.700908D+00  0.251369D-01
                16            17            18            19            20 
      1   0.778949D+00  0.589809D+00  0.171070D+01 -0.167898D+01 -0.671030D+00
      2  -0.847648D+01  0.391499D+00 -0.420659D+01  0.186452D+01  0.127089D+01
      3   0.101164D+01 -0.104525D+01 -0.307293D+00  0.150131D+01 -0.283831D+01
                21            22            23            24            25 
      1  -0.247670D+01 -0.100929D+01  0.229480D+01 -0.788210D+01 -0.108657D+01
      2   0.418659D+01 -0.144495D+01  0.228607D+01  0.266090D+01 -0.280410D+01
      3   0.180517D+00  0.790233D+01 -0.888933D+01 -0.157487D+01  0.250324D+01
                26            27            28            29            30 
      1   0.294712D+01 -0.227639D+01  0.196698D+00  0.509365D+00 -0.225007D+00
      2   0.181396D+01  0.201671D+01  0.103457D+01  0.326504D+00  0.258810D+00
      3  -0.890505D+00 -0.565722D+00  0.124340D+01  0.191009D+00 -0.523194D+00
                31            32            33            34            35 
      1  -0.208350D+00  0.690685D+00 -0.344536D+01  0.355011D+00 -0.313642D+00
      2   0.768146D+00  0.319396D+01 -0.320610D+01 -0.193355D+01 -0.353182D+01
      3   0.195587D+01  0.381551D+01 -0.288207D+01 -0.170419D+01 -0.368439D+01
                36            37            38            39            40 
      1   0.566810D+01 -0.287444D+01 -0.294017D+00  0.274428D+01  0.447650D+00
      2   0.583617D+01 -0.212465D+01  0.118397D+01  0.460294D+01  0.561806D+00
      3   0.366607D+01 -0.307034D+01 -0.282063D+01  0.110135D+01  0.246521D+00
                41            42            43            44            45 
      1  -0.294232D+00 -0.168231D+01  0.251610D+01 -0.279034D+00 -0.304972D+01
      2  -0.892066D+00 -0.185502D+01  0.110021D+01 -0.172828D+01 -0.412339D+01
      3   0.938592D+00  0.306592D+00  0.226015D+01  0.889751D+00 -0.384092D+00
                46            47            48            49            50 
      1   0.751099D-01  0.167119D+00  0.515365D+00 -0.397575D+00 -0.897289D+00
      2  -0.123954D+00 -0.110186D+00  0.202255D+00  0.656539D+00  0.851081D+00
      3   0.410272D-01 -0.906331D+00  0.821814D-01  0.877686D+00 -0.918098D-01
                51            52            53            54            55 
      1   0.403447D+00 -0.581180D-02  0.415585D+01 -0.102619D+01  0.598783D+00
      2  -0.237067D+00 -0.422321D+01 -0.135447D+00  0.253161D+01 -0.461157D+01
      3  -0.279056D+00 -0.578584D+00 -0.311454D+00 -0.225542D+00 -0.857095D+00
                56            57            58            59            60 
      1   0.976143D+00  0.501997D-01  0.182008D+01 -0.157431D+00 -0.961935D+00
      2  -0.160445D+01  0.267475D+01 -0.197808D+01 -0.365367D+01 -0.389472D+01
      3   0.614360D+01  0.178044D+01  0.128533D+02 -0.316105D+01  0.238938D+01
                61            62            63            64            65 
      1  -0.199401D+00  0.269060D+01  0.304829D+00  0.442494D-01  0.213695D+00
      2  -0.410388D+01 -0.358697D+01  0.856495D+01 -0.188729D+01  0.114862D+00
      3   0.127159D+01  0.289577D+01  0.376895D+01 -0.395598D+00 -0.998637D+00
                66            67            68            69            70 
      1  -0.451740D-01  0.854795D-01 -0.337299D+00 -0.871444D+00 -0.207658D+00
      2   0.610027D+00  0.436039D+00 -0.118985D+01  0.239752D+01 -0.176601D+01
      3  -0.282855D+00  0.314129D-01 -0.672021D+00  0.142415D+01 -0.577534D+00
                71            72            73            74            75 
      1   0.272208D+01  0.868562D+00  0.452455D+00 -0.650015D+00  0.767830D+00
      2   0.228008D+01 -0.131443D+02  0.561887D+00 -0.306589D+00  0.267011D+01
      3   0.251540D+01 -0.214313D+01  0.394540D+01 -0.671811D+01  0.198327D-01
                76            77            78            79            80 
      1  -0.600877D+00  0.989693D+00 -0.216720D+01  0.249607D+00  0.708517D+00
      2   0.906116D-01  0.855404D+00 -0.301537D+01  0.357172D+00 -0.933263D+00
      3  -0.422553D+01  0.104456D+02 -0.678540D+00 -0.293351D+00 -0.114428D+01
                81            82            83            84            85 
      1   0.788258D-01 -0.572729D+00 -0.195050D+00 -0.966444D+00 -0.412831D+00
      2  -0.504734D+00  0.189759D+01  0.149418D+01  0.326231D+01  0.123126D+01
      3   0.775232D+00 -0.286227D+01 -0.563619D+01 -0.125503D+01 -0.311816D+01
                86            87            88            89            90 
      1  -0.198014D+00 -0.235932D+01 -0.505364D+00  0.549054D+00 -0.895935D+00
      2   0.228857D+01  0.412969D+01  0.474547D+00  0.230044D+01  0.251330D+01
      3  -0.706338D+01 -0.239057D+01 -0.776927D+00 -0.356597D+01 -0.217211D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.944419D+00 -0.232544D+00  0.883207D+01  0.652054D+01  0.652042D+00
      2   0.795988D+00  0.246322D+00 -0.483358D+01 -0.618944D+01  0.427790D+01
      3  -0.174041D+01 -0.137786D-01 -0.399849D+01 -0.331103D+00 -0.492994D+01
      4   0.145576D+01 -0.486008D+00 -0.841656D+01 -0.149781D+01 -0.629307D+01
      5   0.151503D+02 -0.660421D+01 -0.178872D+01 -0.355097D+01 -0.184625D+01
      6  -0.663324D+01  0.303301D+01  0.321888D+01  0.342123D+01  0.753582D+01
                 6             7             8             9            10 
      1  -0.871747D+01  0.124491D+02 -0.902722D+01  0.198463D+01 -0.930257D+01
      2   0.563965D+01 -0.612486D+01  0.674240D+01 -0.215448D+01  0.214103D+01
      3   0.307782D+01 -0.632424D+01  0.228482D+01  0.169842D+00  0.716154D+01
      4   0.206463D+00 -0.734647D+01 -0.154327D+01  0.528183D+01  0.662594D+00
      5   0.941929D+01 -0.250210D+01  0.552046D+01  0.887764D+00  0.469923D+00
      6  -0.103834D+02  0.256753D+01 -0.697536D+01  0.456911D+01  0.805716D+00
                11            12            13            14            15 
      1  -0.123490D+01  0.357466D+01 -0.479300D-01 -0.142932D+01  0.547213D+00
      2   0.693490D+00  0.987580D-01 -0.942264D+00  0.167762D+01 -0.153376D+01
      3   0.541408D+00 -0.367342D+01  0.990194D+00 -0.248300D+00  0.986552D+00
      4  -0.576135D+01  0.163465D+01 -0.397743D-01 -0.232397D+01 -0.924249D+00
      5   0.936400D+00 -0.701612D+01  0.148855D+01 -0.594913D+00 -0.404454D+00
      6   0.524023D+00  0.438294D+00  0.152149D+01 -0.422043D+00  0.306786D+01
                16            17            18            19            20 
      1   0.479577D+00 -0.241430D+01  0.120676D+02  0.628295D+01  0.560987D+01
      2  -0.120920D+01  0.343779D+00  0.582622D+01 -0.729815D-01 -0.199636D+01
      3   0.729621D+00  0.207052D+01 -0.178939D+02 -0.620997D+01 -0.361351D+01
      4   0.999563D+00 -0.994557D+00  0.170105D+01  0.103638D+02  0.129694D+02
      5   0.908241D+00  0.782676D+00 -0.474991D+01  0.188051D+01  0.277937D+01
      6   0.610576D+00 -0.457987D-01  0.443558D+01  0.302612D+01  0.917429D+00
                21            22            23            24            25 
      1  -0.162170D+01  0.111431D+01 -0.106032D+02 -0.212707D+01  0.484668D+00
      2  -0.196075D+01  0.276097D+01  0.184131D+02 -0.142001D+01 -0.186646D+00
      3   0.358245D+01 -0.387528D+01 -0.780994D+01  0.354708D+01 -0.298022D+00
      4   0.306627D+01  0.133835D+02  0.180780D+02  0.122702D+01  0.295669D+01
      5   0.818997D+01  0.326012D+01  0.774448D+00  0.144012D+01  0.539878D+01
      6   0.861734D+00 -0.147585D+01  0.318691D+01  0.116035D+02  0.236505D+01
                26            27            28            29            30 
      1  -0.154508D+01 -0.658156D+01  0.892345D+00 -0.272229D+01  0.126201D+01
      2   0.800714D-01 -0.539157D+00 -0.315136D+00  0.154978D+01 -0.335090D+00
      3   0.146500D+01  0.712072D+01 -0.577209D+00  0.117251D+01 -0.926917D+00
      4   0.370302D+01  0.495663D+01 -0.204201D+01  0.345477D+01 -0.126237D+01
      5   0.457702D+01  0.455900D+01 -0.277236D+00 -0.831626D+00  0.345240D+01
      6   0.906377D+01  0.575907D+01 -0.186270D+01 -0.104737D+01  0.112412D+00
                31            32            33            34            35 
      1  -0.198115D+01 -0.797994D+01  0.619770D+01  0.678190D+00  0.780796D+01
      2   0.862104D+00  0.973156D+01 -0.511801D+01 -0.699873D+00 -0.586603D+01
      3   0.111905D+01 -0.175162D+01 -0.107969D+01  0.216829D-01 -0.194194D+01
      4   0.505714D+01 -0.590622D+01  0.435721D+01 -0.317591D+01  0.550731D+01
      5  -0.229924D+01  0.526243D+01 -0.579332D+01  0.511135D+01 -0.640141D+01
      6   0.110623D+01 -0.108494D+02  0.104584D+02 -0.209242D+01  0.120483D+02
                36            37            38            39            40 
      1  -0.955823D+01  0.241401D+02 -0.489756D+01 -0.732923D+01 -0.423586D+01
      2   0.357173D+00 -0.118222D+02  0.260008D+00  0.480654D+01 -0.170680D+00
      3   0.920106D+01 -0.123180D+02  0.463755D+01  0.252269D+01  0.440654D+01
      4  -0.518164D+01 -0.147858D+02  0.104170D+02  0.574896D+01  0.969986D+01
      5   0.106008D+02 -0.134496D+02  0.460973D+01  0.106517D+02  0.293757D+01
      6  -0.143755D+02  0.620447D+01 -0.338369D+01 -0.502430D+01 -0.318762D+01
                41            42            43            44            45 
      1   0.272149D+01  0.791543D+00 -0.105369D+02  0.238994D+01  0.305885D+01
      2   0.100864D+01  0.439245D+00  0.684353D+01 -0.684044D+00 -0.508684D+01
      3  -0.373013D+01 -0.123079D+01  0.369338D+01 -0.170589D+01  0.202799D+01
      4  -0.664598D+01 -0.366864D+01  0.768273D+01 -0.514488D+01 -0.621150D+01
      5  -0.325581D+01 -0.337812D+01  0.123892D+02 -0.552617D+01 -0.111295D+02
      6   0.268085D+01  0.463558D+01 -0.531462D+01  0.540750D+01  0.517648D+01
                46            47            48            49            50 
      1   0.367062D+00 -0.129265D+00  0.320987D+00 -0.106050D+00 -0.411665D+01
      2  -0.298866D+01  0.284954D-01 -0.132117D+00  0.326705D+00  0.619334D+00
      3   0.262160D+01  0.100770D+00 -0.188869D+00 -0.220655D+00  0.349732D+01
      4  -0.279277D+00  0.221361D+01 -0.780627D+00  0.155325D+01 -0.421256D+00
      5   0.785407D+00 -0.935654D+00  0.752390D+01 -0.113314D+01  0.103222D+01
      6  -0.900129D+00 -0.219877D-01  0.860784D-01 -0.526737D-01 -0.272124D+01
                51            52            53            54            55 
      1   0.381634D+01 -0.511677D+00  0.332459D+01 -0.226220D+02  0.304581D+01
      2   0.505248D+00 -0.108458D+01  0.189753D+00 -0.132834D+02 -0.481013D+01
      3  -0.432159D+01  0.159626D+01 -0.351434D+01  0.359054D+02  0.176432D+01
      4   0.645343D+00 -0.399839D+00  0.292326D+00 -0.757026D+00  0.246671D+01
      5  -0.778184D+00  0.567127D+01 -0.650281D+00  0.359526D+01 -0.985370D+01
      6   0.701309D+01 -0.747206D+00  0.656933D+01 -0.566287D+01 -0.254772D+01
                56            57            58            59            60 
      1   0.222443D+01 -0.712206D+01  0.187007D+01 -0.139131D+02 -0.353076D+01
      2  -0.123912D+00  0.303189D+01  0.272404D+00  0.285483D+01  0.352545D+00
      3  -0.210052D+01  0.409017D+01 -0.214247D+01  0.110583D+02  0.317821D+01
      4  -0.164289D+02 -0.421713D+01 -0.226243D+02  0.508258D+01 -0.684364D+01
      5  -0.403569D+01  0.160623D+01 -0.548597D+01 -0.652236D+01 -0.695871D+01
      6  -0.107174D+01 -0.473347D+00 -0.166516D+01 -0.289448D+01 -0.154909D+01
                61            62            63            64            65 
      1  -0.869783D+01 -0.411204D+01  0.611465D+01  0.126333D+00  0.386512D+00
      2   0.212201D+01 -0.350390D+00  0.128969D+01 -0.155540D+01 -0.387950D+00
      3   0.657582D+01  0.446243D+01 -0.740434D+01  0.142907D+01  0.143806D-02
      4  -0.547910D+01 -0.724435D+01 -0.697986D+01  0.106031D+00  0.267595D+01
      5  -0.448315D+00 -0.669811D+01  0.126216D+02 -0.116221D+01 -0.344211D+00
      6  -0.151166D+01 -0.932154D+00  0.188653D+01 -0.722788D+00  0.573843D+00
                66            67            68            69            70 
      1  -0.296975D+01  0.979127D+00 -0.838714D+00  0.217316D+01 -0.464974D+01
      2   0.125565D+01 -0.798171D+00  0.781886D+00 -0.120105D+00  0.407401D+01
      3   0.171411D+01 -0.180956D+00  0.568283D-01 -0.205306D+01  0.575728D+00
      4  -0.568772D+00  0.424220D+01  0.131862D+01 -0.231539D+01 -0.119258D+01
      5   0.442731D+01 -0.706396D+00 -0.203999D+01  0.398397D+01  0.720141D+01
      6   0.310612D+00 -0.295854D+00 -0.194396D+01  0.540079D+01  0.859286D+00
                71            72            73            74            75 
      1   0.237852D+01 -0.113665D+02  0.184480D+02 -0.942849D+01  0.127779D+01
      2  -0.371733D+00 -0.880358D+01 -0.632043D+01  0.259105D+01 -0.473765D+00
      3  -0.200679D+01  0.201701D+02 -0.121276D+02  0.683744D+01 -0.804022D+00
      4  -0.436653D+01  0.400387D+01 -0.132201D+02  0.154582D+02 -0.204098D+00
      5   0.354027D+01 -0.222657D+02  0.959444D+00  0.178216D-02  0.471813D+01
      6   0.542195D+01 -0.508262D+01  0.388182D+00 -0.415797D+00 -0.957999D+00
                76            77            78            79            80 
      1  -0.132412D+02  0.569351D+01 -0.253581D+00  0.245854D+01  0.515841D+00
      2   0.270409D+01  0.617932D+01 -0.168133D+00 -0.796284D+00 -0.449168D+00
      3   0.105371D+02 -0.118728D+02  0.421714D+00 -0.166226D+01 -0.666733D-01
      4   0.193768D+02 -0.232969D+02  0.177503D+01 -0.303041D+00  0.223747D+01
      5   0.428833D+00  0.145776D+01 -0.518025D+01  0.527392D+01 -0.350422D+01
      6  -0.622673D+00  0.102725D+01  0.371300D+01 -0.176133D+01  0.376395D+01
                81            82            83            84            85 
      1   0.539850D+00  0.174165D+02  0.734461D+01  0.486567D+01  0.106680D+02
      2  -0.892627D+00 -0.623259D+01 -0.132111D+01 -0.200276D+01 -0.190534D+01
      3   0.352777D+00 -0.111839D+02 -0.602350D+01 -0.286291D+01 -0.876263D+01
      4  -0.297412D+01  0.129625D+02  0.141324D+02  0.439518D+01  0.176198D+02
      5  -0.139423D+00  0.631500D+01  0.381960D+01  0.654471D+01  0.506065D+01
      6  -0.114262D+01  0.224208D+01  0.892274D+00  0.142763D+01  0.206871D+01
                86            87            88            89            90 
      1   0.405047D+01  0.150592D+01  0.730085D+01  0.108480D+01  0.823099D+00
      2   0.598254D+01  0.617322D+00 -0.348333D+01  0.768358D+00 -0.225265D+01
      3  -0.100330D+02 -0.212324D+01 -0.381752D+01 -0.185316D+01  0.142955D+01
      4   0.180984D+02  0.635869D+01  0.625796D+01  0.755345D+01  0.616077D+01
      5   0.573247D+01  0.764966D+01  0.776692D+01  0.605005D+01  0.683792D+01
      6   0.379582D+01  0.434972D+01  0.271508D+01  0.432355D+01  0.383239D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.337217D+00      0.857120D+00      0.285904D+01
   y          0.651403D+00      0.165570D+01      0.552283D+01
   z          0.266668D+00      0.677803D+00      0.226091D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.448764D+02      0.664999D+01      0.739912D+01
   yx        -0.293313D+01     -0.434645D+00     -0.483607D+00
   yy         0.357864D+02      0.530300D+01      0.590038D+01
   zx         0.962235D+00      0.142589D+00      0.158651D+00
   zy        -0.123787D+01     -0.183434D+00     -0.204098D+00
   zz         0.361063D+02      0.535040D+01      0.595312D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.412417D+02      0.611139D+01      0.679984D+01
   aniso      0.937940D+01      0.138988D+01      0.154645D+01
   xx         0.467707D+02      0.693070D+01      0.771145D+01
   yx        -0.230972D+01     -0.342265D+00     -0.380821D+00
   yy         0.386450D+02      0.572660D+01      0.637171D+01
   zx         0.817830D+00      0.121190D+00      0.134842D+00
   zy        -0.604504D+00     -0.895783D-01     -0.996693D-01
   zz         0.383095D+02      0.567688D+01      0.631638D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.95195356          1.18247855          0.08505260
     6         -0.13116355         -0.87721094          0.38118758
     8         -0.74953804          0.08328687         -2.07320661
     1         -1.37075432          3.10238706          0.52204999
     1         -3.96335442          0.81158928          0.25066262
     1         -0.88989594         -2.75655362          0.73067889
     6          2.52045704         -0.44129423          1.28748780
     1          3.12084466          1.48662089          0.87574127
     1          3.82761779         -1.74058113          0.35971124
     1          2.64779815         -0.75360554          3.32444940

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.780483D+00      0.198379D+01      0.661721D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.429366D+02      0.636254D+01      0.707928D+01
   yx        -0.401395D+01     -0.594805D+00     -0.661810D+00
   yy         0.388492D+02      0.575685D+01      0.640536D+01
   zx         0.223041D+01      0.330513D+00      0.367746D+00
   zy        -0.874592D+00     -0.129601D+00     -0.144201D+00
   zz         0.349833D+02      0.518399D+01      0.576797D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.412417D+02      0.611139D+01      0.679984D+01
   aniso      0.937940D+01      0.138988D+01      0.154645D+01
   xx         0.449243D+02      0.665709D+01      0.740701D+01
   yx        -0.362663D+01     -0.537411D+00     -0.597950D+00
   yy         0.404473D+02      0.599367D+01      0.666886D+01
   zx         0.204194D+01      0.302584D+00      0.336670D+00
   zy        -0.857844D+00     -0.127119D+00     -0.141439D+00
   zz         0.383536D+02      0.568342D+01      0.632366D+01

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K07-08-01\Freq\RLC-PBEPBE\Gen\C3H6O1\PIERPA\16-Jul-2021\0
 \\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Ti
 ght) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0375
 000000,3/108=0375000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/1
 31=-1)\\ROA calculations.\\0,1\C,-1.037946,0.61605,-0.060586\C,0.15216
 7,-0.036181,0.486338\O,-0.827309,-0.787855,-0.240257\H,-0.946334,1.214
 879,-0.962405\H,-1.863621,0.880906,0.593045\H,0.153731,-0.252078,1.553
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 "THE ACADEMIC HIERARCHY"


 THE PRESIDENT:
   LEAPS TALL BUILDINGS IN A SINGLE BOUND,
     IS MORE POWERFUL THAN A LOCOMOTIVE,
       IS FASTER THAN A SPEEDING BULLET,
         WALKS ON WATER,
           GIVES POLICY TO GOD.

 THE VICE PRESIDENT FOR ACADEMIC AFFAIRS:
   LEAPS SHORT BUILDINGS IN A SINGLE BOUND,
     IS MORE POWERFUL THAN A SWITCH ENGINE,
       IS JUST AS FAST AS A SPEEDING BULLET,
         WALKS ON WATER IF SEA IS CALM,
           TALKS WITH GOD.

 PROFESSOR:
   LEAPS SHORT BUILDINGS WITH A RUNNING START AND FAVORABLE WINDS,
     IS ALMOST AS POWERFUL AS A SWITCH ENGINE,
       CAN FIRE A SPEEDING BULLET,
         WALKS ON WATER IN AN INDOOR SWIMMING POOL,
          TALKS WITH GOD IF SPECIAL REQUEST IS APPROVED.

 ASSOCIATE PROFESSOR:
   BARELY CLEARS A QUONSET HUT,
     LOSES TUG OF WAR WITH LOCOMOTIVE,
       MISFIRES FREQUENTLY,
         SWIMS WELL,
           IS OCCASIONALLY ADDRESSED BY GOD.

 ASSISTANT PROFESSOR:
   MAKES HIGH MARKS ON WALLS WHEN TRYING TO LEAP TALL BUILDINGS,
     IS RUN OVER BY LOCOMOTIVES,
       CAN SOMETIMES HANDLE A GUN WITHOUT INFLICTING SELF INJURY,
         DOG PADDLES,
           TALKS TO ANIMALS.

 GRADUATE STUDENT:
   RUNS INTO BUILDINGS,
     RECOGNIZES LOCOMOTIVES TWO OUT OF THREE TIMES,
       IS NOT ISSUED AMMUNITION,
         CAN STAY AFLOAT WITH A LIFE JACKET,
           TALKS TO WALLS.

 UNDERGRADUATE AND WORK STUDY STUDENT:
   FALLS OVER DOORSTEP WHEN TRYING TO ENTER BUILDINGS,
     SAYS, "LOOK AT THE CHOO-CHOO,"
       WETS HIMSELF WITH A WATER PISTOL,
        PLAYS IN MUD PUDDLES,
          MUMBLES TO HIMSELF.

 DEPARTMENT SECRETARY:
   LIFTS TALL BUILDINGS AND WALKS UNDER THEM,
     KICKS LOCOMOTIVES OFF THE TRACKS,
       CATCHES SPEEDING BULLETS IN HER TEETH AND EATS THEM,
         FREEZES WATER WITH A SINGLE GLANCE,
           IS GOD.
 Job cpu time:       0 days  0 hours 25 minutes  3.0 seconds.
 Elapsed time:       0 days  0 hours  3 minutes 10.6 seconds.
 File lengths (MBytes):  RWF=    103 Int=      0 D2E=      0 Chk=      4 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 19:17:18 2021.
